17-Hydroxypregn-1-en-3-one
TL;DR: 17-Hydroxypregn-1-en-3-one (CAS 876-99-3) is a chemical compound with molecular formula C21H32O2 and molecular weight 316.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
17-ethyl-17-hydroxy-10,13-dimethyl-5,6,7,8,9,11,12,14,15,16-decahydro-4H-cyclopenta[a]phenanthren-3-one
Also Known As: 17-hydroxypregn-1-en-3-one, NCIOpen2_008115, 17-ethyl-17-hydroxy-10,13-dimethyl-5,6,7,8,9,11,12,14,15,16-decahydro-4H-cyclopenta[a]phenanthren-3-one
| Molecular Formula | C21H32O2 |
|---|---|
| Molecular Weight | 316.24 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 316.24023 |
| Heavy Atoms | 23 |
| Complexity | 552.0 |
Chemical Identifiers
| CAS Number | 876-99-3 |
|---|---|
| SMILES | CCC1(CCC2C1(CCC3C2CCC4C3(C=CC(=O)C4)C)C)O |
| InChIKey | WPYJZLXFDIBWTK-UHFFFAOYSA-N |
Product Overview
17-Hydroxypregn-1-en-3-one (CAS 876-99-3), with molecular formula C21H32O2 and molecular weight 316.24 g/mol. IUPAC: 17-ethyl-17-hydroxy-10,13-dimethyl-5,6,7,8,9,11,12,14,15,16-decahydro-4H-cyclopenta[a]phenanthren-3-one.
Chemical Property Profile of 17-Hydroxypregn-1-en-3-one
Property Insights of 17-Hydroxypregn-1-en-3-one
The XLogP value of 4.7 indicates that 17-Hydroxypregn-1-en-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 17-Hydroxypregn-1-en-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 17-Hydroxypregn-1-en-3-one has 1 hydrogen bond donor(s) and 2 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 17-Hydroxypregn-1-en-3-one?
The CAS number of 17-Hydroxypregn-1-en-3-one is 876-99-3.
What is the molecular formula of 17-Hydroxypregn-1-en-3-one?
The molecular formula of 17-Hydroxypregn-1-en-3-one is C21H32O2.
What is the molecular weight of 17-Hydroxypregn-1-en-3-one?
The molecular weight of 17-Hydroxypregn-1-en-3-one is 316.24 g/mol.
Where can I buy 17-Hydroxypregn-1-en-3-one?
You can request a quote for 17-Hydroxypregn-1-en-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 17-Hydroxypregn-1-en-3-one?
Yes, KEHONG BIO provides custom synthesis services for 17-Hydroxypregn-1-en-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.