天人菊素
TL;DR: 天人菊素 (CAS 14682-46-3) is a chemical compound with molecular formula C23H32O2 and molecular weight 340.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
天人菊素
[(5S,8R,9S,10S,13S,14S,17R)-17-ethynyl-10,13-dimethyl-1,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate
Also Known As: Regonyl, 17-Ethynylandrost-2-ene-17-ol-17-acetate, TX 380, pregn-2-en-20-yn-17-yl acetate, 5alpha,17alpha-Pregn-2-en-20-yn-17-ol acetate
| Molecular Formula | C23H32O2 |
|---|---|
| Molecular Weight | 340.24 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 340.24023 |
| Heavy Atoms | 25 |
| Complexity | 654.0 |
Chemical Identifiers
| CAS Number | 14682-46-3 |
|---|---|
| SMILES | CC(=O)O[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC=CC4)C)C)C#C |
| InChIKey | SQRBBVVZRKZEPF-OWNQEUAMSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
天人菊素 (CAS 14682-46-3), with molecular formula C23H32O2 and molecular weight 340.24 g/mol. IUPAC: [(5S,8R,9S,10S,13S,14S,17R)-17-ethynyl-10,13-dimethyl-1,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate.
Chemical Property Profile of 天人菊素
Property Insights of 天人菊素
The XLogP value of 5.6 indicates that 天人菊素 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 天人菊素 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 天人菊素 has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 天人菊素?
The CAS number of 天人菊素 is 14682-46-3.
What is the molecular formula of 天人菊素?
The molecular formula of 天人菊素 is C23H32O2.
What is the molecular weight of 天人菊素?
The molecular weight of 天人菊素 is 340.24 g/mol.
Where can I buy 天人菊素?
You can request a quote for 天人菊素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 天人菊素?
Yes, KEHONG BIO provides custom synthesis services for 天人菊素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.