13-Deoxydoxorubicin hydrochloride
TL;DR: 13-Deoxydoxorubicin hydrochloride (CAS 65360-29-4) is a chemical compound with molecular formula C27H32ClNO10 and molecular weight 565.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7S,9R)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyethyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride
Also Known As: GPX-100 hydrochloride, 13-Deoxydoxorubicin hydrochloride, 13-Deoxyadriamycin hydrochloride, (7S,9R)-7-((2R,4S,5S,6S)-4-Amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl)oxy-6,9,11-trihydroxy-9-(2-hydroxyethyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride, (7S,9R)-7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-6,9,11-tr
| Molecular Formula | C27H32ClNO10 |
|---|---|
| Molecular Weight | 565.17 g/mol |
| LogP | 1.2441 |
| Topological Polar Surface Area | 189.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 565.17145 |
| Heavy Atoms | 39 |
| Complexity | 1304.2035 |
Chemical Identifiers
| CAS Number | 65360-29-4 |
|---|---|
| SMILES | C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(CCO)O)N)O.Cl |
Product Overview
13-Deoxydoxorubicin hydrochloride (CAS 65360-29-4), with molecular formula C27H32ClNO10 and molecular weight 565.17 g/mol. IUPAC: (7S,9R)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyethyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride.
Chemical Property Profile of 13-Deoxydoxorubicin hydrochloride
Property Insights of 13-Deoxydoxorubicin hydrochloride
The XLogP value of 1.2441 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 13-Deoxydoxorubicin hydrochloride. The TPSA of 189.0 Ų indicates high polarity, suggesting 13-Deoxydoxorubicin hydrochloride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 13-Deoxydoxorubicin hydrochloride has 6 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 13-Deoxydoxorubicin hydrochloride?
The CAS number of 13-Deoxydoxorubicin hydrochloride is 65360-29-4.
What is the molecular formula of 13-Deoxydoxorubicin hydrochloride?
The molecular formula of 13-Deoxydoxorubicin hydrochloride is C27H32ClNO10.
What is the molecular weight of 13-Deoxydoxorubicin hydrochloride?
The molecular weight of 13-Deoxydoxorubicin hydrochloride is 565.17 g/mol.
Where can I buy 13-Deoxydoxorubicin hydrochloride?
You can request a quote for 13-Deoxydoxorubicin hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 13-Deoxydoxorubicin hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 13-Deoxydoxorubicin hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.