KST-1A4931
TL;DR: KST-1A4931 (CAS 4695-15-2) is a chemical compound with molecular formula C21H24ClN3O2 and molecular weight 385.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R,5S)-1,5-diphenyl-4-(piperazine-1-carbonyl)pyrrolidin-2-one;hydrochloride
Also Known As: KST-1A4931, cis-1-((5-Oxo-1,2-diphenyl-3-pyrrolidinyl)carbonyl)piperazine monohydrochloride, cis-Diphenyl-1,5 oxo-2 piperazinocarbonyl-4 pyrrolidine chlorhydrate [French], (4r,5s)-1,5-diphenyl-4-(piperazin-1-ylcarbonyl)pyrrolidin-2-one hydrochloride(1:1), Piperazine, 1-((5-oxo-1,2-diphenyl-3-pyrrolidinyl)carbonyl)-, monohydrochloride, cis-
| Molecular Formula | C21H24ClN3O2 |
|---|---|
| Molecular Weight | 385.16 g/mol |
| LogP | 2.6344 |
| Topological Polar Surface Area | 52.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 385.1557 |
| Heavy Atoms | 27 |
| Complexity | 505.0 |
Chemical Identifiers
| CAS Number | 4695-15-2 |
|---|---|
| SMILES | C1CN(CCN1)C(=O)[C@@H]2CC(=O)N([C@@H]2C3=CC=CC=C3)C4=CC=CC=C4.Cl |
| InChIKey | QCMVLJRRXBQWAM-OVAHNPOGSA-N |
Product Overview
KST-1A4931 (CAS 4695-15-2), with molecular formula C21H24ClN3O2 and molecular weight 385.16 g/mol. IUPAC: (4R,5S)-1,5-diphenyl-4-(piperazine-1-carbonyl)pyrrolidin-2-one;hydrochloride.
Chemical Property Profile of KST-1A4931
Property Insights of KST-1A4931
The XLogP value of 2.6344 suggests moderate lipophilicity, balancing water solubility and membrane permeability for KST-1A4931. With a topological polar surface area (TPSA) of 52.7 Ų, KST-1A4931 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, KST-1A4931 has 2 hydrogen bond donor(s) and 3 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-1A4931?
The CAS number of KST-1A4931 is 4695-15-2.
What is the molecular formula of KST-1A4931?
The molecular formula of KST-1A4931 is C21H24ClN3O2.
What is the molecular weight of KST-1A4931?
The molecular weight of KST-1A4931 is 385.16 g/mol.
Where can I buy KST-1A4931?
You can request a quote for KST-1A4931 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1A4931?
Yes, KEHONG BIO provides custom synthesis services for KST-1A4931 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.