KST-1A4927
TL;DR: KST-1A4927 (CAS 4601-42-7) is a chemical compound with molecular formula C21H29FO3 and molecular weight 348.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,5S,11R,12S,16S)-9-fluoro-16-methyl-15-oxo-5-tetracyclo[9.7.0.02,7.012,16]octadec-2(7)-enyl] acetate
Also Known As: KST-1A4927, (3as,3br,8s,10bs,12as)-5-fluoro-12a-methyl-1-oxo-1,2,3,3a,3b,4,5,6,7,8,9,10,10b,11,12,12a-hexadecahydrobenzo[3,4]cyclohepta[1,2-e]inden-8-yl acetate, (3as,3br,8s,10bs,12as)-5-fluoro-12a-methyl-1-oxo-1,2,3,3a,3b
| Molecular Formula | C21H29FO3 |
|---|---|
| Molecular Weight | 348.21 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 348.21008 |
| Heavy Atoms | 25 |
| Complexity | 625.0 |
Chemical Identifiers
| CAS Number | 4601-42-7 |
|---|---|
| SMILES | CC(=O)O[C@H]1CCC2=C(C1)CC(C[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)F |
| InChIKey | IGRWPBROGNPQRG-VABNHVJHSA-N |
Product Overview
KST-1A4927 (CAS 4601-42-7), with molecular formula C21H29FO3 and molecular weight 348.21 g/mol. IUPAC: [(1S,5S,11R,12S,16S)-9-fluoro-16-methyl-15-oxo-5-tetracyclo[9.7.0.02,7.012,16]octadec-2(7)-enyl] acetate.
Chemical Property Profile of KST-1A4927
Property Insights of KST-1A4927
The XLogP value of 3.0 indicates that KST-1A4927 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, KST-1A4927 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, KST-1A4927 has 0 hydrogen bond donor(s) and 4 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 KST-1A4927?
The CAS number of KST-1A4927 is 4601-42-7.
What is the molecular formula of KST-1A4927?
The molecular formula of KST-1A4927 is C21H29FO3.
What is the molecular weight of KST-1A4927?
The molecular weight of KST-1A4927 is 348.21 g/mol.
Where can I buy KST-1A4927?
You can request a quote for KST-1A4927 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1A4927?
Yes, KEHONG BIO provides custom synthesis services for KST-1A4927 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.