KST-1A4505
TL;DR: KST-1A4505 (CAS 3919-49-1) is a chemical compound with molecular formula C23H34O5 and molecular weight 390.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2R,5S,7R,9S,11R,12S,15R,16S)-15-acetyl-5-hydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-15-yl] acetate
Also Known As: KST-1A4505, (3, A,5, A,6, A)-3-hydroxy-20-oxo-5,6-epoxypregnan-17-yl acetate
| Molecular Formula | C23H34O5 |
|---|---|
| Molecular Weight | 390.24 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 76.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 390.24063 |
| Heavy Atoms | 28 |
| Complexity | 735.0 |
Chemical Identifiers
| CAS Number | 3919-49-1 |
|---|---|
| SMILES | CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H]4[C@@]5([C@@]3(CC[C@@H](C5)O)C)O4)C)OC(=O)C |
| InChIKey | MVSNUOQYIMBCLK-XLWMTSDTSA-N |
Product Overview
KST-1A4505 (CAS 3919-49-1), with molecular formula C23H34O5 and molecular weight 390.24 g/mol. IUPAC: [(1S,2R,5S,7R,9S,11R,12S,15R,16S)-15-acetyl-5-hydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-15-yl] acetate.
Chemical Property Profile of KST-1A4505
Property Insights of KST-1A4505
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for KST-1A4505. The TPSA of 76.1 Ų falls within the moderate polarity range, balancing permeability and solubility for KST-1A4505. Following Lipinski's Rule of Five, KST-1A4505 has 1 hydrogen bond donor(s) and 5 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-1A4505?
The CAS number of KST-1A4505 is 3919-49-1.
What is the molecular formula of KST-1A4505?
The molecular formula of KST-1A4505 is C23H34O5.
What is the molecular weight of KST-1A4505?
The molecular weight of KST-1A4505 is 390.24 g/mol.
Where can I buy KST-1A4505?
You can request a quote for KST-1A4505 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1A4505?
Yes, KEHONG BIO provides custom synthesis services for KST-1A4505 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.