4-Demethoxydaunorubicin bis(hydrazone)
TL;DR: 4-Demethoxydaunorubicin bis(hydrazone) (CAS 77313-12-3) is a chemical compound with molecular formula C57H66Cl3N7O18 and molecular weight 1241.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-N,N'-bis[(E)-1-[4-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-2,5,12-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethylideneamino]pentanediamide;trihydrochloride
Also Known As: 4-Demethoxydaunorubicin bis(hydrazone), SC 33428, Pentanedioic acid, 3-amino-, 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-6,11-dioxo-2-naphthacenyl)ethylidene)hydrazide), trihydrochloride, (2S-(2alpha,2(2R*,4R*),4alpha))-, 3-amino-N,N'-bis[(E)-1-[4-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-2,5,12-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethylideneamino]pentanediamide;trihydrochloride, Pentanedioic acid, 3-amino-, 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-6,11-dioxo-2-naphthacenyl)ethylidene)hydrazide),trihydrochloride, (2S-(2-alpha,2(2R*,4R*),4-alpha))-
| Molecular Formula | C57H66Cl3N7O18 |
|---|---|
| Molecular Weight | 1241.35 g/mol |
| LogP | 2.2333 |
| Topological Polar Surface Area | 428.02 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 23 |
| Rotatable Bonds | 12 |
| Exact Mass | 1241.353 |
| Heavy Atoms | 85 |
| Complexity | 3214.0603 |
Chemical Identifiers
| CAS Number | 77313-12-3 |
|---|---|
| SMILES | CC1OC(CC(C1O)N)OC2C3=C(C(=C4C(=O)C5=CC=CC=C5C(=O)C4=C3O)O)CC(C2)(O)/C(=N/NC(=O)CC(N)CC(=O)N/N=C(/C6(CC7=C(C(=C8C(=O)C9=CC=CC=C9C(=O)C8=C7O)O)C(C6)OC1OC(C(C(C1)N)O)C)O)\C)/C.Cl.Cl.Cl |
Product Overview
4-Demethoxydaunorubicin bis(hydrazone) (CAS 77313-12-3), with molecular formula C57H66Cl3N7O18 and molecular weight 1241.35 g/mol. IUPAC: 3-amino-N,N'-bis[(E)-1-[4-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-2,5,12-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethylideneamino]pentanediamide;trihydrochloride.
Chemical Property Profile of 4-Demethoxydaunorubicin bis(hydrazone)
Property Insights of 4-Demethoxydaunorubicin bis(hydrazone)
The XLogP value of 2.2333 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Demethoxydaunorubicin bis(hydrazone). The TPSA of 428.02 Ų indicates high polarity, suggesting 4-Demethoxydaunorubicin bis(hydrazone) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-Demethoxydaunorubicin bis(hydrazone) has 13 hydrogen bond donor(s) and 23 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Demethoxydaunorubicin bis(hydrazone)?
The CAS number of 4-Demethoxydaunorubicin bis(hydrazone) is 77313-12-3.
What is the molecular formula of 4-Demethoxydaunorubicin bis(hydrazone)?
The molecular formula of 4-Demethoxydaunorubicin bis(hydrazone) is C57H66Cl3N7O18.
What is the molecular weight of 4-Demethoxydaunorubicin bis(hydrazone)?
The molecular weight of 4-Demethoxydaunorubicin bis(hydrazone) is 1241.35 g/mol.
Where can I buy 4-Demethoxydaunorubicin bis(hydrazone)?
You can request a quote for 4-Demethoxydaunorubicin bis(hydrazone) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Demethoxydaunorubicin bis(hydrazone)?
Yes, KEHONG BIO provides custom synthesis services for 4-Demethoxydaunorubicin bis(hydrazone) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.