[2-(17-hydroxy-10,13-dimethyl-3-oxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] acetate
TL;DR: [2-(17-hydroxy-10,13-dimethyl-3-oxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] acetate (CAS 4380-55-6) is a chemical compound with molecular formula C23H28O5 and molecular weight 384.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(17-hydroxy-10,13-dimethyl-3-oxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] acetate
Also Known As: [2-(17-hydroxy-10,13-dimethyl-3-oxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] acetate, 2-(17-hydroxy-10,13-dimethyl-3-oxo-6,7,8,10,12,13,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl acetate
| Molecular Formula | C23H28O5 |
|---|---|
| Molecular Weight | 384.19 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 80.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 384.19366 |
| Heavy Atoms | 28 |
| Complexity | 849.0 |
Chemical Identifiers
| CAS Number | 4380-55-6 |
|---|---|
| SMILES | CC(=O)OCC(=O)C1(CCC2C1(CC=C3C2CCC4=CC(=O)C=CC43C)C)O |
| InChIKey | SBUSWJGDMXBNFJ-UHFFFAOYSA-N |
Product Overview
[2-(17-hydroxy-10,13-dimethyl-3-oxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] acetate (CAS 4380-55-6), with molecular formula C23H28O5 and molecular weight 384.19 g/mol. IUPAC: [2-(17-hydroxy-10,13-dimethyl-3-oxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] acetate.
Chemical Property Profile of [2-(17-hydroxy-10,13-dimethyl-3-oxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] acetate
Property Insights of [2-(17-hydroxy-10,13-dimethyl-3-oxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] acetate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-(17-hydroxy-10,13-dimethyl-3-oxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] acetate. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-(17-hydroxy-10,13-dimethyl-3-oxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] acetate. Following Lipinski's Rule of Five, [2-(17-hydroxy-10,13-dimethyl-3-oxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] acetate has 1 hydrogen bond donor(s) and 5 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 [2-(17-hydroxy-10,13-dimethyl-3-oxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] acetate?
The CAS number of [2-(17-hydroxy-10,13-dimethyl-3-oxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] acetate is 4380-55-6.
What is the molecular formula of [2-(17-hydroxy-10,13-dimethyl-3-oxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] acetate?
The molecular formula of [2-(17-hydroxy-10,13-dimethyl-3-oxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] acetate is C23H28O5.
What is the molecular weight of [2-(17-hydroxy-10,13-dimethyl-3-oxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] acetate?
The molecular weight of [2-(17-hydroxy-10,13-dimethyl-3-oxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] acetate is 384.19 g/mol.
Where can I buy [2-(17-hydroxy-10,13-dimethyl-3-oxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] acetate?
You can request a quote for [2-(17-hydroxy-10,13-dimethyl-3-oxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-(17-hydroxy-10,13-dimethyl-3-oxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] acetate?
Yes, KEHONG BIO provides custom synthesis services for [2-(17-hydroxy-10,13-dimethyl-3-oxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.