7-Deoxyadriamycinol aglycone
TL;DR: 7-Deoxyadriamycinol aglycone (CAS 4463-20-1) is a chemical compound with molecular formula C21H20O8 and molecular weight 400.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(9R)-9-[(1S)-1,2-dihydroxyethyl]-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: 7-Deoxyadriamycinol aglycone, 7-Deoxydoxorubicinol aglycone, Aglycone C, Adriamycinol 7-deoxyaglycone, 7-Deoxydoxorubicinolone
| Molecular Formula | C21H20O8 |
|---|---|
| Molecular Weight | 400.12 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 145.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 400.1158 |
| Heavy Atoms | 29 |
| Complexity | 667.0 |
Chemical Identifiers
| CAS Number | 4463-20-1 |
|---|---|
| SMILES | COC1=CC=CC2=C1C(=O)C3=C(C4=C(C[C@](CC4)([C@H](CO)O)O)C(=C3C2=O)O)O |
| InChIKey | IGJIPNOEJDYNRR-YEJXKQKISA-N |
Product Overview
7-Deoxyadriamycinol aglycone (CAS 4463-20-1), with molecular formula C21H20O8 and molecular weight 400.12 g/mol. IUPAC: (9R)-9-[(1S)-1,2-dihydroxyethyl]-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione.
Chemical Property Profile of 7-Deoxyadriamycinol aglycone
Property Insights of 7-Deoxyadriamycinol aglycone
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Deoxyadriamycinol aglycone. The TPSA of 145.0 Ų indicates high polarity, suggesting 7-Deoxyadriamycinol aglycone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 7-Deoxyadriamycinol aglycone has 5 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 7-Deoxyadriamycinol aglycone?
The CAS number of 7-Deoxyadriamycinol aglycone is 4463-20-1.
What is the molecular formula of 7-Deoxyadriamycinol aglycone?
The molecular formula of 7-Deoxyadriamycinol aglycone is C21H20O8.
What is the molecular weight of 7-Deoxyadriamycinol aglycone?
The molecular weight of 7-Deoxyadriamycinol aglycone is 400.12 g/mol.
Where can I buy 7-Deoxyadriamycinol aglycone?
You can request a quote for 7-Deoxyadriamycinol aglycone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Deoxyadriamycinol aglycone?
Yes, KEHONG BIO provides custom synthesis services for 7-Deoxyadriamycinol aglycone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.