SK&F 104976
TL;DR: SK&F 104976 (CAS 136209-43-3) is a chemical compound with molecular formula C31H50O3 and molecular weight 470.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3S,10S,13R,14R,17S)-3-hydroxy-4,4,10,13-tetramethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,5,6,7,11,12,17-octahydro-1H-cyclopenta[a]phenanthren-14-yl]acetic acid
Also Known As: Skf 104976, SK&F 104976, SK&F-104976, 2-[(3S,10S,13R,14R,17S)-3-hydroxy-4,4,10,13-tetramethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,5,6,7,11,12,17-octahydro-1H-cyclopenta[a]phenanthren-14-yl]acetic acid, (3beta)-3-Hydroxylanosta-8,15-diene-30-carboxylic acid
| Molecular Formula | C31H50O3 |
|---|---|
| Molecular Weight | 470.38 g/mol |
| LogP | 7.9 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 470.376 |
| Heavy Atoms | 34 |
| Complexity | 866.0 |
Chemical Identifiers
| CAS Number | 136209-43-3 |
|---|---|
| SMILES | C[C@H](CCCC(C)C)[C@H]1C=C[C@@]2([C@@]1(CCC3=C2CCC4[C@@]3(CC[C@@H](C4(C)C)O)C)C)CC(=O)O |
| InChIKey | AUNLCWKHCZCMHW-ZFNHRJSZSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
SK&F 104976 (CAS 136209-43-3), with molecular formula C31H50O3 and molecular weight 470.38 g/mol. IUPAC: 2-[(3S,10S,13R,14R,17S)-3-hydroxy-4,4,10,13-tetramethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,5,6,7,11,12,17-octahydro-1H-cyclopenta[a]phenanthren-14-yl]acetic acid.
Chemical Property Profile of SK&F 104976
Property Insights of SK&F 104976
The XLogP value of 7.9 indicates that SK&F 104976 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, SK&F 104976 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, SK&F 104976 has 2 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 SK&F 104976?
The CAS number of SK&F 104976 is 136209-43-3.
What is the molecular formula of SK&F 104976?
The molecular formula of SK&F 104976 is C31H50O3.
What is the molecular weight of SK&F 104976?
The molecular weight of SK&F 104976 is 470.38 g/mol.
Where can I buy SK&F 104976?
You can request a quote for SK&F 104976 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for SK&F 104976?
Yes, KEHONG BIO provides custom synthesis services for SK&F 104976 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.