4-Demethoxydaunorubicin, beta
TL;DR: 4-Demethoxydaunorubicin, beta (CAS 58976-06-0) is a chemical compound with molecular formula C26H27NO9 and molecular weight 497.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7R,9R)-9-acetyl-7-[(2S,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: 4-Demethoxydaunorubicin, beta, 4-Demethoxydaunorubicin hydrochloride, 4-Demethoxy-7,9-di-epi-daunorubicin, beta, (7R,9R)-9-acetyl-7-[(2S,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione, (7R-cis)-9-Acetyl-7-((3-amino-2,3,6-trideoxy-beta-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,9,11-trihydroxy-5,12-naphthacenedione
| Molecular Formula | C26H27NO9 |
|---|---|
| Molecular Weight | 497.17 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 177.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 3 |
| Exact Mass | 497.16858 |
| Heavy Atoms | 36 |
| Complexity | 912.0 |
Chemical Identifiers
| CAS Number | 58976-06-0 |
|---|---|
| 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=CC=CC=C5C4=O)O)(C(=O)C)O)N)O |
| InChIKey | XDXDZDZNSLXDNA-NGEJXCPLSA-N |
Product Overview
4-Demethoxydaunorubicin, beta (CAS 58976-06-0), with molecular formula C26H27NO9 and molecular weight 497.17 g/mol. IUPAC: (7R,9R)-9-acetyl-7-[(2S,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione.
Chemical Property Profile of 4-Demethoxydaunorubicin, beta
Property Insights of 4-Demethoxydaunorubicin, beta
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Demethoxydaunorubicin, beta. The TPSA of 177.0 Ų indicates high polarity, suggesting 4-Demethoxydaunorubicin, beta may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-Demethoxydaunorubicin, beta has 5 hydrogen bond donor(s) and 10 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 4-Demethoxydaunorubicin, beta?
The CAS number of 4-Demethoxydaunorubicin, beta is 58976-06-0.
What is the molecular formula of 4-Demethoxydaunorubicin, beta?
The molecular formula of 4-Demethoxydaunorubicin, beta is C26H27NO9.
What is the molecular weight of 4-Demethoxydaunorubicin, beta?
The molecular weight of 4-Demethoxydaunorubicin, beta is 497.17 g/mol.
Where can I buy 4-Demethoxydaunorubicin, beta?
You can request a quote for 4-Demethoxydaunorubicin, beta directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Demethoxydaunorubicin, beta?
Yes, KEHONG BIO provides custom synthesis services for 4-Demethoxydaunorubicin, beta and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.