Nilestriol
TL;DR: Nilestriol (CAS 39791-20-3) is a chemical compound with molecular formula C25H32O3 and molecular weight 380.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8R,9S,13S,14S,16R,17R)-3-cyclopentyloxy-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-16,17-diol
Also Known As: Nilestriol, Nilestriolum, Nilestriol [INN], Nylestriol [USAN], Nilestriol (INN)
| Molecular Formula | C25H32O3 |
|---|---|
| Molecular Weight | 380.24 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 49.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 380.23514 |
| Heavy Atoms | 28 |
| Complexity | 645.0 |
Chemical Identifiers
| CAS Number | 39791-20-3 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@]2(C#C)O)O)CCC4=C3C=CC(=C4)OC5CCCC5 |
| InChIKey | CHZJRGNDJLJLAW-RIQJQHKOSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Nilestriol (CAS 39791-20-3), with molecular formula C25H32O3 and molecular weight 380.24 g/mol. IUPAC: (8R,9S,13S,14S,16R,17R)-3-cyclopentyloxy-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-16,17-diol.
Chemical Property Profile of Nilestriol
Property Insights of Nilestriol
The XLogP value of 4.3 indicates that Nilestriol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.7 Ų, Nilestriol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nilestriol has 2 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 Nilestriol?
The CAS number of Nilestriol is 39791-20-3.
What is the molecular formula of Nilestriol?
The molecular formula of Nilestriol is C25H32O3.
What is the molecular weight of Nilestriol?
The molecular weight of Nilestriol is 380.24 g/mol.
Where can I buy Nilestriol?
You can request a quote for Nilestriol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nilestriol?
Yes, KEHONG BIO provides custom synthesis services for Nilestriol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.