![4-O-[2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-hydroxyethyl] 1-O-methyl butanedioate structure](/static/products/1145/114593-86-1.webp)
4-O-[2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-hydroxyethyl] 1-O-methyl butanedioate
TL;DR: 4-O-[2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-hydroxyethyl] 1-O-methyl butanedioate (CAS 114593-86-1) is a chemical compound with molecular formula C26H38O8 and molecular weight 478.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-O-[2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-hydroxyethyl] 1-O-methyl butanedioate
4-O-[2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-hydroxyethyl] 1-O-methyl butanedioate
Also Known As: Pregn-4-ene-3,20-dione, 11,17-dihydroxy-21-(4-methoxy-1,4-dioxobutoxy)-, (11beta)-, 4-O-[2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-hydroxyethyl] 1-O-methyl butanedioate
| Molecular Formula | C26H38O8 |
|---|---|
| Molecular Weight | 478.26 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 478.25668 |
| Heavy Atoms | 34 |
| Complexity | 882.0 |
Chemical Identifiers
| CAS Number | 114593-86-1 |
|---|---|
| SMILES | CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(COC(=O)CCC(=O)OC)O)O)C)O |
| InChIKey | HEJDDMXNBGPGQJ-UHFFFAOYSA-N |
Product Overview
4-O-[2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-hydroxyethyl] 1-O-methyl butanedioate (CAS 114593-86-1), with molecular formula C26H38O8 and molecular weight 478.26 g/mol. IUPAC: 4-O-[2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-hydroxyethyl] 1-O-methyl butanedioate.
Chemical Property Profile of 4-O-[2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-hydroxyethyl] 1-O-methyl butanedioate
Property Insights of 4-O-[2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-hydroxyethyl] 1-O-methyl butanedioate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-O-[2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-hydroxyethyl] 1-O-methyl butanedioate. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-O-[2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-hydroxyethyl] 1-O-methyl butanedioate. Following Lipinski's Rule of Five, 4-O-[2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-hydroxyethyl] 1-O-methyl butanedioate has 3 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 4-O-[2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-hydroxyethyl] 1-O-methyl butanedioate?
The CAS number of 4-O-[2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-hydroxyethyl] 1-O-methyl butanedioate is 114593-86-1.
What is the molecular formula of 4-O-[2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-hydroxyethyl] 1-O-methyl butanedioate?
The molecular formula of 4-O-[2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-hydroxyethyl] 1-O-methyl butanedioate is C26H38O8.
What is the molecular weight of 4-O-[2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-hydroxyethyl] 1-O-methyl butanedioate?
The molecular weight of 4-O-[2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-hydroxyethyl] 1-O-methyl butanedioate is 478.26 g/mol.
Where can I buy 4-O-[2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-hydroxyethyl] 1-O-methyl butanedioate?
You can request a quote for 4-O-[2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-hydroxyethyl] 1-O-methyl butanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-O-[2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-hydroxyethyl] 1-O-methyl butanedioate?
Yes, KEHONG BIO provides custom synthesis services for 4-O-[2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-hydroxyethyl] 1-O-methyl butanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.