13-Deoxyepirubicin
TL;DR: 13-Deoxyepirubicin (CAS 952648-77-0) is a chemical compound with molecular formula C27H31NO10 and molecular weight 529.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(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
Also Known As: 13-Deoxyepirubicin, GPX100, 7-(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
| Molecular Formula | C27H31NO10 |
|---|---|
| Molecular Weight | 529.19 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 189.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 529.1948 |
| Heavy Atoms | 38 |
| Complexity | 903.0 |
Chemical Identifiers
| CAS Number | 952648-77-0 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(CCO)O)N)O |
| InChIKey | RGVRUQHYQSORBY-UHFFFAOYSA-N |
Product Overview
13-Deoxyepirubicin (CAS 952648-77-0), with molecular formula C27H31NO10 and molecular weight 529.19 g/mol. IUPAC: 7-(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.
Chemical Property Profile of 13-Deoxyepirubicin
Property Insights of 13-Deoxyepirubicin
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 13-Deoxyepirubicin. The TPSA of 189.0 Ų indicates high polarity, suggesting 13-Deoxyepirubicin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 13-Deoxyepirubicin 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-Deoxyepirubicin?
The CAS number of 13-Deoxyepirubicin is 952648-77-0.
What is the molecular formula of 13-Deoxyepirubicin?
The molecular formula of 13-Deoxyepirubicin is C27H31NO10.
What is the molecular weight of 13-Deoxyepirubicin?
The molecular weight of 13-Deoxyepirubicin is 529.19 g/mol.
Where can I buy 13-Deoxyepirubicin?
You can request a quote for 13-Deoxyepirubicin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 13-Deoxyepirubicin?
Yes, KEHONG BIO provides custom synthesis services for 13-Deoxyepirubicin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.