![Butanedioic acid, bis[[1-[4-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenylethylidene]hydrazide], dihydrochloride, (2S-(2.alpha.(2R*,4R*),4.alpha.))- structure](/static/products/700/70095-83-9.png)
Butanedioic acid, bis[[1-[4-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenylethylidene]hydrazide], dihydrochloride, (2S-(2.alpha.(2R*,4R*),4.alpha.))-
TL;DR: Butanedioic acid, bis[[1-[4-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenylethylidene]hydrazide], dihydrochloride, (2S-(2.alpha.(2R*,4R*),4.alpha.))- (CAS 70095-83-9) is a chemical compound with molecular formula C58H64N6O20 and molecular weight 1164.42 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N'-bis[(E)-1-[4-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethylideneamino]butanediamide
Also Known As: Butanedioic acid, bis[[1-[4-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenylethylidene]hydrazide], dihydrochloride, (2S-(2.alpha.(2R*,4R*),4.alpha.))-, Butanedioic acid,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenyl]ethylidene]hydrazide], dihydrochloride, [2S-[2.alpha.,2(2R*,4R*),4.alpha.]]-, Butanedioic acid,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenyl]ethylidene]hydrazide], dihydrochloride, stereoisomer, Butanedioic acid,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenylethylidene]hydrazide], dihydrochloride, (2S-(2.alpha.(2R*,4R*),4.alpha.))-, N'~1~,N'~4~-Bis[(1E)-1-{4-[(3-amino-2,3,6-trideoxyhexopyranosyl)oxy]-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-2-yl}ethylidene]butanedihydrazide
| Molecular Formula | C58H64N6O20 |
|---|---|
| Molecular Weight | 1164.42 g/mol |
| LogP | 1.6578 |
| Topological Polar Surface Area | 420.46 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 24 |
| Rotatable Bonds | 13 |
| Exact Mass | 1164.4175 |
| Heavy Atoms | 84 |
| Complexity | 3279.4678 |
Chemical Identifiers
| CAS Number | 70095-83-9 |
|---|---|
| SMILES | CC1OC(CC(C1O)N)OC2C3=C(C(=C4C(=O)C5=C(C(=O)C4=C3O)C(=CC=C5)OC)O)CC(C2)(O)/C(=N/NC(=O)CCC(=O)N/N=C(/C6(CC7=C(C(=C8C(=O)C9=C(C(=O)C8=C7O)C=CC=C9OC)O)C(C6)OC1OC(C(C(C1)N)O)C)O)\C)/C |
Product Overview
Butanedioic acid, bis[[1-[4-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenylethylidene]hydrazide], dihydrochloride, (2S-(2.alpha.(2R*,4R*),4.alpha.))- (CAS 70095-83-9), with molecular formula C58H64N6O20 and molecular weight 1164.42 g/mol. IUPAC: N,N'-bis[(E)-1-[4-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethylideneamino]butanediamide.
Chemical Property Profile of Butanedioic acid, bis[[1-[4-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenylethylidene]hydrazide], dihydrochloride, (2S-(2.alpha.(2R*,4R*),4.alpha.))-
Property Insights of Butanedioic acid, bis[[1-[4-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenylethylidene]hydrazide], dihydrochloride, (2S-(2.alpha.(2R*,4R*),4.alpha.))-
The XLogP value of 1.6578 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanedioic acid, bis[[1-[4-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenylethylidene]hydrazide], dihydrochloride, (2S-(2.alpha.(2R*,4R*),4.alpha.))-. The TPSA of 420.46 Ų indicates high polarity, suggesting Butanedioic acid, bis[[1-[4-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenylethylidene]hydrazide], dihydrochloride, (2S-(2.alpha.(2R*,4R*),4.alpha.))- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Butanedioic acid, bis[[1-[4-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenylethylidene]hydrazide], dihydrochloride, (2S-(2.alpha.(2R*,4R*),4.alpha.))- has 12 hydrogen bond donor(s) and 24 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Butanedioic acid, bis[[1-[4-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenylethylidene]hydrazide], dihydrochloride, (2S-(2.alpha.(2R*,4R*),4.alpha.))-?
The CAS number of Butanedioic acid, bis[[1-[4-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenylethylidene]hydrazide], dihydrochloride, (2S-(2.alpha.(2R*,4R*),4.alpha.))- is 70095-83-9.
What is the molecular formula of Butanedioic acid, bis[[1-[4-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenylethylidene]hydrazide], dihydrochloride, (2S-(2.alpha.(2R*,4R*),4.alpha.))-?
The molecular formula of Butanedioic acid, bis[[1-[4-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenylethylidene]hydrazide], dihydrochloride, (2S-(2.alpha.(2R*,4R*),4.alpha.))- is C58H64N6O20.
What is the molecular weight of Butanedioic acid, bis[[1-[4-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenylethylidene]hydrazide], dihydrochloride, (2S-(2.alpha.(2R*,4R*),4.alpha.))-?
The molecular weight of Butanedioic acid, bis[[1-[4-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenylethylidene]hydrazide], dihydrochloride, (2S-(2.alpha.(2R*,4R*),4.alpha.))- is 1164.42 g/mol.
Where can I buy Butanedioic acid, bis[[1-[4-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenylethylidene]hydrazide], dihydrochloride, (2S-(2.alpha.(2R*,4R*),4.alpha.))-?
You can request a quote for Butanedioic acid, bis[[1-[4-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenylethylidene]hydrazide], dihydrochloride, (2S-(2.alpha.(2R*,4R*),4.alpha.))- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanedioic acid, bis[[1-[4-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenylethylidene]hydrazide], dihydrochloride, (2S-(2.alpha.(2R*,4R*),4.alpha.))-?
Yes, KEHONG BIO provides custom synthesis services for Butanedioic acid, bis[[1-[4-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenylethylidene]hydrazide], dihydrochloride, (2S-(2.alpha.(2R*,4R*),4.alpha.))- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.