KST-1A5017
TL;DR: KST-1A5017 (CAS 4919-13-5) is a chemical compound with molecular formula C23H30O6 and molecular weight 402.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(1R,2R,4R,6R,7R,10S,11R)-6-hydroxy-7,11-dimethyl-14-oxo-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadec-15-en-6-yl]-2-oxoethyl] acetate
Also Known As: KST-1A5017, (15, A)-17-hydroxy-3,20-dioxo-14,15-epoxypregn-4-en-21-yl acetate
| Molecular Formula | C23H30O6 |
|---|---|
| Molecular Weight | 402.20 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 93.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 402.20422 |
| Heavy Atoms | 29 |
| Complexity | 846.0 |
Chemical Identifiers
| CAS Number | 4919-13-5 |
|---|---|
| SMILES | CC(=O)OCC(=O)[C@]1(C[C@@H]2[C@@]3([C@@]1(CC[C@H]4[C@H]3CCC5=CC(=O)CC[C@]45C)C)O2)O |
| InChIKey | QOAKSOGRQYFKHP-NCZDBSHJSA-N |
Product Overview
KST-1A5017 (CAS 4919-13-5), with molecular formula C23H30O6 and molecular weight 402.20 g/mol. IUPAC: [2-[(1R,2R,4R,6R,7R,10S,11R)-6-hydroxy-7,11-dimethyl-14-oxo-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadec-15-en-6-yl]-2-oxoethyl] acetate.
Chemical Property Profile of KST-1A5017
Property Insights of KST-1A5017
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for KST-1A5017. The TPSA of 93.2 Ų falls within the moderate polarity range, balancing permeability and solubility for KST-1A5017. Following Lipinski's Rule of Five, KST-1A5017 has 1 hydrogen bond donor(s) and 6 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-1A5017?
The CAS number of KST-1A5017 is 4919-13-5.
What is the molecular formula of KST-1A5017?
The molecular formula of KST-1A5017 is C23H30O6.
What is the molecular weight of KST-1A5017?
The molecular weight of KST-1A5017 is 402.20 g/mol.
Where can I buy KST-1A5017?
You can request a quote for KST-1A5017 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1A5017?
Yes, KEHONG BIO provides custom synthesis services for KST-1A5017 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.