Pentagestrone
TL;DR: Pentagestrone (CAS 7001-56-1) is a chemical compound with molecular formula C26H38O3 and molecular weight 398.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(8R,9S,10R,13S,14S,17R)-3-cyclopentyloxy-17-hydroxy-10,13-dimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]ethanone
Also Known As: Pentagestrone, pentagestrona, pentagestronum, Pentagestrone [INN], PENTAGESTRONE [MI]
| Molecular Formula | C26H38O3 |
|---|---|
| Molecular Weight | 398.28 g/mol |
| LogP | 5.7223 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 398.2821 |
| Heavy Atoms | 29 |
| Complexity | 759.9151 |
Chemical Identifiers
| CAS Number | 7001-56-1 |
|---|---|
| SMILES | CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CCC(=C4)OC5CCCC5)C)C)O |
Product Overview
Pentagestrone (CAS 7001-56-1), with molecular formula C26H38O3 and molecular weight 398.28 g/mol. IUPAC: 1-[(8R,9S,10R,13S,14S,17R)-3-cyclopentyloxy-17-hydroxy-10,13-dimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]ethanone.
Chemical Property Profile of Pentagestrone
Property Insights of Pentagestrone
The XLogP value of 5.7223 indicates that Pentagestrone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.53 Ų, Pentagestrone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentagestrone has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pentagestrone?
The CAS number of Pentagestrone is 7001-56-1.
What is the molecular formula of Pentagestrone?
The molecular formula of Pentagestrone is C26H38O3.
What is the molecular weight of Pentagestrone?
The molecular weight of Pentagestrone is 398.28 g/mol.
Where can I buy Pentagestrone?
You can request a quote for Pentagestrone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentagestrone?
Yes, KEHONG BIO provides custom synthesis services for Pentagestrone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.