4-O-methyl-6-deoxyoxaunomycin
TL;DR: 4-O-methyl-6-deoxyoxaunomycin (CAS 146565-64-2) is a chemical compound with molecular formula C27H31NO9 and molecular weight 513.20 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-9,10,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: 4-O-Methyl-6-deoxyoxaunomycin, 7-O-Daunosaminyl-alpha-citromycinone, 7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-9-ethyl-9,10,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione, 3-ethyl-3,4,5-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxyhexopyranoside, 5,12-Naphthacenedione, 10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-8-ethyl-7,8,9,10-tetrahydro-6,7,8-trihydroxy-1-methoxy-, (7R-(7alpha,8beta,10beta))-
| Molecular Formula | C27H31NO9 |
|---|---|
| Molecular Weight | 513.20 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 169.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 513.1999 |
| Heavy Atoms | 37 |
| Complexity | 886.0 |
Chemical Identifiers
| CAS Number | 146565-64-2 |
|---|---|
| SMILES | CCC1(CC(C2=CC3=C(C(=C2C1O)O)C(=O)C4=C(C3=O)C(=CC=C4)OC)OC5CC(C(C(O5)C)O)N)O |
| InChIKey | XRXASJCRJLAEDX-UHFFFAOYSA-N |
Product Overview
4-O-methyl-6-deoxyoxaunomycin (CAS 146565-64-2), with molecular formula C27H31NO9 and molecular weight 513.20 g/mol. IUPAC: 7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-9-ethyl-9,10,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione.
Chemical Property Profile of 4-O-methyl-6-deoxyoxaunomycin
Property Insights of 4-O-methyl-6-deoxyoxaunomycin
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-O-methyl-6-deoxyoxaunomycin. The TPSA of 169.0 Ų indicates high polarity, suggesting 4-O-methyl-6-deoxyoxaunomycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-O-methyl-6-deoxyoxaunomycin has 5 hydrogen bond donor(s) and 10 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-6-deoxyoxaunomycin?
The CAS number of 4-O-methyl-6-deoxyoxaunomycin is 146565-64-2.
What is the molecular formula of 4-O-methyl-6-deoxyoxaunomycin?
The molecular formula of 4-O-methyl-6-deoxyoxaunomycin is C27H31NO9.
What is the molecular weight of 4-O-methyl-6-deoxyoxaunomycin?
The molecular weight of 4-O-methyl-6-deoxyoxaunomycin is 513.20 g/mol.
Where can I buy 4-O-methyl-6-deoxyoxaunomycin?
You can request a quote for 4-O-methyl-6-deoxyoxaunomycin 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-6-deoxyoxaunomycin?
Yes, KEHONG BIO provides custom synthesis services for 4-O-methyl-6-deoxyoxaunomycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.