Heptanedioic 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.]]-
TL;DR: Heptanedioic 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.]]- (CAS 70074-75-8) is a chemical compound with molecular formula C61H70N6O20 and molecular weight 1206.46 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]heptanediamide
Also Known As: Heptanedioic 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.]]-, N'~1~,N'~7~-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]heptanedihydrazide, 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]heptanediamide
| Molecular Formula | C61H70N6O20 |
|---|---|
| Molecular Weight | 1206.46 g/mol |
| LogP | 2.8281 |
| Topological Polar Surface Area | 420.46 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 24 |
| Rotatable Bonds | 16 |
| Exact Mass | 1206.4645 |
| Heavy Atoms | 87 |
| Complexity | 3334.7097 |
Chemical Identifiers
| CAS Number | 70074-75-8 |
|---|---|
| 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)CCCCCC(=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
Heptanedioic 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.]]- (CAS 70074-75-8), with molecular formula C61H70N6O20 and molecular weight 1206.46 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]heptanediamide.
Chemical Property Profile of Heptanedioic 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.]]-
Property Insights of Heptanedioic 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.]]-
The XLogP value of 2.8281 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Heptanedioic 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.]]-. The TPSA of 420.46 Ų indicates high polarity, suggesting Heptanedioic 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.]]- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Heptanedioic 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.]]- 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 Heptanedioic 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.]]-?
The CAS number of Heptanedioic 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.]]- is 70074-75-8.
What is the molecular formula of Heptanedioic 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.]]-?
The molecular formula of Heptanedioic 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.]]- is C61H70N6O20.
What is the molecular weight of Heptanedioic 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.]]-?
The molecular weight of Heptanedioic 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.]]- is 1206.46 g/mol.
Where can I buy Heptanedioic 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.]]-?
You can request a quote for Heptanedioic 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.]]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heptanedioic 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.]]-?
Yes, KEHONG BIO provides custom synthesis services for Heptanedioic 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.]]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.