3-Demethoxy-3-ethoxytetracenomycin C
TL;DR: 3-Demethoxy-3-ethoxytetracenomycin C (CAS 838-01-7) is a chemical compound with molecular formula C24H22O11 and molecular weight 486.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 8-ethoxy-6a,7,10a,12-tetrahydroxy-3-methoxy-1-methyl-6,10,11-trioxo-7H-tetracene-2-carboxylate
Also Known As: 3-Detc, 3-Demethoxy-3-ethoxytetracenomycin C, 3-(2-hydroxypropanoyloxy)propyl 2-hydroxypropanoate, methyl 8-ethoxy-6a,7,10a,12-tetrahydroxy-3-methoxy-1-methyl-6,10,11-trioxo-7H-tetracene-2-carboxylate, 2-Naphthacenecarboxylic acid, 8-ethoxy-6,6a,7,10,10a,11-hexahydro-6a,7,10a,12-tetrahydroxy-3-methoxy-1-methyl-6,10,11-trioxo-, methyl ester
| Molecular Formula | C24H22O11 |
|---|---|
| Molecular Weight | 486.12 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 177.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 486.1162 |
| Heavy Atoms | 35 |
| Complexity | 975.0 |
Chemical Identifiers
| CAS Number | 838-01-7 |
|---|---|
| SMILES | CCOC1=CC(=O)C2(C(=O)C3=C(C=C4C=C(C(=C(C4=C3O)C)C(=O)OC)OC)C(=O)C2(C1O)O)O |
| InChIKey | MWOGLUWVPFOVLI-UHFFFAOYSA-N |
Product Overview
3-Demethoxy-3-ethoxytetracenomycin C (CAS 838-01-7), with molecular formula C24H22O11 and molecular weight 486.12 g/mol. IUPAC: methyl 8-ethoxy-6a,7,10a,12-tetrahydroxy-3-methoxy-1-methyl-6,10,11-trioxo-7H-tetracene-2-carboxylate.
Chemical Property Profile of 3-Demethoxy-3-ethoxytetracenomycin C
Property Insights of 3-Demethoxy-3-ethoxytetracenomycin C
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Demethoxy-3-ethoxytetracenomycin C. The TPSA of 177.0 Ų indicates high polarity, suggesting 3-Demethoxy-3-ethoxytetracenomycin C may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-Demethoxy-3-ethoxytetracenomycin C has 4 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 3-Demethoxy-3-ethoxytetracenomycin C?
The CAS number of 3-Demethoxy-3-ethoxytetracenomycin C is 838-01-7.
What is the molecular formula of 3-Demethoxy-3-ethoxytetracenomycin C?
The molecular formula of 3-Demethoxy-3-ethoxytetracenomycin C is C24H22O11.
What is the molecular weight of 3-Demethoxy-3-ethoxytetracenomycin C?
The molecular weight of 3-Demethoxy-3-ethoxytetracenomycin C is 486.12 g/mol.
Where can I buy 3-Demethoxy-3-ethoxytetracenomycin C?
You can request a quote for 3-Demethoxy-3-ethoxytetracenomycin C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Demethoxy-3-ethoxytetracenomycin C?
Yes, KEHONG BIO provides custom synthesis services for 3-Demethoxy-3-ethoxytetracenomycin C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.