TimTec1_000936
TL;DR: TimTec1_000936 (CAS 329938-07-0) is a chemical compound with molecular formula C14H12ClN3O2S and molecular weight 321.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-chlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
Also Known As: TimTec1_000936, 3-(2-chlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methyl-1,2-oxazole-4-carboxamide, [3-(2-chlorophenyl)-5-methylisoxazol-4-yl]-N-(1,3-thiazolin-2-yl)carboxamide, 3-(2-chlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methyl-4-isoxazolecarboxamide, 3-(2-CL-PH)-5-ME-ISOXAZOLE-4-CARBOXYLIC ACID (4,5-DIHYDRO-THIAZOL-2-YL)-AMIDE
| Molecular Formula | C14H12ClN3O2S |
|---|---|
| Molecular Weight | 321.03 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 92.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 321.03387 |
| Heavy Atoms | 21 |
| Complexity | 434.0 |
Chemical Identifiers
| CAS Number | 329938-07-0 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3=NCCS3 |
| InChIKey | VDMFUMMRBIFTJG-UHFFFAOYSA-N |
Product Overview
TimTec1_000936 (CAS 329938-07-0), with molecular formula C14H12ClN3O2S and molecular weight 321.03 g/mol. IUPAC: 3-(2-chlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methyl-1,2-oxazole-4-carboxamide.
Chemical Property Profile of TimTec1_000936
Property Insights of TimTec1_000936
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for TimTec1_000936. The TPSA of 92.8 Ų falls within the moderate polarity range, balancing permeability and solubility for TimTec1_000936. Following Lipinski's Rule of Five, TimTec1_000936 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 TimTec1_000936?
The CAS number of TimTec1_000936 is 329938-07-0.
What is the molecular formula of TimTec1_000936?
The molecular formula of TimTec1_000936 is C14H12ClN3O2S.
What is the molecular weight of TimTec1_000936?
The molecular weight of TimTec1_000936 is 321.03 g/mol.
Where can I buy TimTec1_000936?
You can request a quote for TimTec1_000936 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_000936?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_000936 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.