17α-羟孕酮
TL;DR: 17α-羟孕酮 (CAS 68-96-2) is a chemical compound with molecular formula C21H30O3 and molecular weight 330.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
17α-羟孕酮
(8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
Also Known As: hydroxyprogesterone, 17-Hydroxyprogesterone, 17ALPHA-HYDROXYPROGESTERONE, 17a-Hydroxyprogesterone, Prodix
| Molecular Formula | C21H30O3 |
|---|---|
| Molecular Weight | 330.22 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 330.21948 |
| Heavy Atoms | 24 |
| Complexity | 635.0 |
| Melting Point | 222-223 °C |
| Solubility | 0.00648 mg/mL |
Chemical Identifiers
| CAS Number | 68-96-2 |
|---|---|
| SMILES | CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O |
| InChIKey | DBPWSSGDRRHUNT-CEGNMAFCSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
17α-羟孕酮 (CAS 68-96-2), with molecular formula C21H30O3 and molecular weight 330.22 g/mol. IUPAC: (8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one.
Chemical Property Profile of 17α-羟孕酮
Property Insights of 17α-羟孕酮
The XLogP value of 3.2 indicates that 17α-羟孕酮 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, 17α-羟孕酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 17α-羟孕酮 has 1 hydrogen bond donor(s) and 3 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 17α-羟孕酮?
The CAS number of 17α-羟孕酮 is 68-96-2.
What is the molecular formula of 17α-羟孕酮?
The molecular formula of 17α-羟孕酮 is C21H30O3.
What is the molecular weight of 17α-羟孕酮?
The molecular weight of 17α-羟孕酮 is 330.22 g/mol.
Where can I buy 17α-羟孕酮?
You can request a quote for 17α-羟孕酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 17α-羟孕酮?
Yes, KEHONG BIO provides custom synthesis services for 17α-羟孕酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.