4-O-Methyl-13-hydroxyoxaunomycin
TL;DR: 4-O-Methyl-13-hydroxyoxaunomycin (CAS 127995-99-7) 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-9-ethyl-6,9,10,11-tetrahydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: 4-O-Methyl-13-hydroxyoxaunomycin, Benzoic acid,4-ethenyl-,dodecyl ester, 7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-9-ethyl-6,9,10,11-tetrahydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione, (7R-(7alpha,8beta,10beta))-10-((3-Amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-8-ethyl-7,8,9,10-tetrahydro-6,7,8,11-tetrahydroxy-1-methoxy-5,12-naphthacenedione, 3-ethyl-3,4,5,12-tetrahydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxyhexopyranoside
| Molecular Formula | C27H31NO10 |
|---|---|
| Molecular Weight | 529.19 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 189.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 4 |
| Exact Mass | 529.1948 |
| Heavy Atoms | 38 |
| Complexity | 918.0 |
Chemical Identifiers
| CAS Number | 127995-99-7 |
|---|---|
| SMILES | CCC1(CC(C2=C(C1O)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4OC)O)OC5CC(C(C(O5)C)O)N)O |
| InChIKey | CCPABUFJGOJNIN-UHFFFAOYSA-N |
Product Overview
4-O-Methyl-13-hydroxyoxaunomycin (CAS 127995-99-7), with molecular formula C27H31NO10 and molecular weight 529.19 g/mol. IUPAC: 7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-9-ethyl-6,9,10,11-tetrahydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione.
Chemical Property Profile of 4-O-Methyl-13-hydroxyoxaunomycin
Property Insights of 4-O-Methyl-13-hydroxyoxaunomycin
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-O-Methyl-13-hydroxyoxaunomycin. The TPSA of 189.0 Ų indicates high polarity, suggesting 4-O-Methyl-13-hydroxyoxaunomycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-O-Methyl-13-hydroxyoxaunomycin 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 4-O-Methyl-13-hydroxyoxaunomycin?
The CAS number of 4-O-Methyl-13-hydroxyoxaunomycin is 127995-99-7.
What is the molecular formula of 4-O-Methyl-13-hydroxyoxaunomycin?
The molecular formula of 4-O-Methyl-13-hydroxyoxaunomycin is C27H31NO10.
What is the molecular weight of 4-O-Methyl-13-hydroxyoxaunomycin?
The molecular weight of 4-O-Methyl-13-hydroxyoxaunomycin is 529.19 g/mol.
Where can I buy 4-O-Methyl-13-hydroxyoxaunomycin?
You can request a quote for 4-O-Methyl-13-hydroxyoxaunomycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-O-Methyl-13-hydroxyoxaunomycin?
Yes, KEHONG BIO provides custom synthesis services for 4-O-Methyl-13-hydroxyoxaunomycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.