KST-1A0624
TL;DR: KST-1A0624 (CAS 104030-16-2) is a chemical compound with molecular formula C13H13ClFN3O2 and molecular weight 297.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2-chloro-6-fluorophenyl)-(1-methylimidazol-2-yl)methyl] N-methylcarbamate
Also Known As: KST-1A0624, (2-chloro-6-fluorophenyl)(1-methyl-1h-imidazol-2-yl)methyl methylcarbamate, 1H-Imidazole-2-methanol, alpha-(2-chloro-6-fluorophenyl)-1-methyl-, methylcarbamate (ester), 1H-Imidazole-2-methanol,a-(2-chloro-6-fluorophenyl)-1-methyl-,methylcarbamate (ester) (9CI), (2-Chloro-6-fluorophenyl)(1-methyl-1H-imidazol-2-yl)methyl hydrogen methylcarbonimidate
| Molecular Formula | C13H13ClFN3O2 |
|---|---|
| Molecular Weight | 297.07 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 56.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 297.06802 |
| Heavy Atoms | 20 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 104030-16-2 |
|---|---|
| SMILES | CNC(=O)OC(C1=C(C=CC=C1Cl)F)C2=NC=CN2C |
| InChIKey | ZMZLAMBFSBUWHG-UHFFFAOYSA-N |
Product Overview
KST-1A0624 (CAS 104030-16-2), with molecular formula C13H13ClFN3O2 and molecular weight 297.07 g/mol. IUPAC: [(2-chloro-6-fluorophenyl)-(1-methylimidazol-2-yl)methyl] N-methylcarbamate.
Chemical Property Profile of KST-1A0624
Property Insights of KST-1A0624
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for KST-1A0624. With a topological polar surface area (TPSA) of 56.2 Ų, KST-1A0624 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, KST-1A0624 has 1 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-1A0624?
The CAS number of KST-1A0624 is 104030-16-2.
What is the molecular formula of KST-1A0624?
The molecular formula of KST-1A0624 is C13H13ClFN3O2.
What is the molecular weight of KST-1A0624?
The molecular weight of KST-1A0624 is 297.07 g/mol.
Where can I buy KST-1A0624?
You can request a quote for KST-1A0624 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1A0624?
Yes, KEHONG BIO provides custom synthesis services for KST-1A0624 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.