C14H13ClN4O2S
TL;DR: C14H13ClN4O2S (CAS 565179-70-6) is a chemical compound with molecular formula C14H13ClN4O2S and molecular weight 336.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[3-(2-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]acetate
Also Known As: ethyl 2-[3-(2-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]acetate, [3-(2-Chloro-phenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]-acetic acid ethyl ester, ETHYL 2-(3-(2-CHLOROPHENYL)-7H-[1,2,4]TRIAZOLO[3,4-B][1,3,4]THIADIAZIN-6-YL)ACETATE, ethyl [3-(2-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]acetate, ethyl2-[3-(2-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]acetate
| Molecular Formula | C14H13ClN4O2S |
|---|---|
| Molecular Weight | 336.04 g/mol |
| LogP | 2.8615 |
| Topological Polar Surface Area | 69.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 336.04477 |
| Heavy Atoms | 22 |
| Complexity | 744.1941 |
Chemical Identifiers
| CAS Number | 565179-70-6 |
|---|---|
| SMILES | CCOC(=O)CC1=NN2C(=NN=C2SC1)C3=CC=CC=C3Cl |
Product Overview
C14H13ClN4O2S (CAS 565179-70-6), with molecular formula C14H13ClN4O2S and molecular weight 336.04 g/mol. IUPAC: ethyl 2-[3-(2-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]acetate.
Chemical Property Profile of C14H13ClN4O2S
Property Insights of C14H13ClN4O2S
The XLogP value of 2.8615 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C14H13ClN4O2S. The TPSA of 69.37 Ų falls within the moderate polarity range, balancing permeability and solubility for C14H13ClN4O2S. Following Lipinski's Rule of Five, C14H13ClN4O2S has 0 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 C14H13ClN4O2S?
The CAS number of C14H13ClN4O2S is 565179-70-6.
What is the molecular formula of C14H13ClN4O2S?
The molecular formula of C14H13ClN4O2S is C14H13ClN4O2S.
What is the molecular weight of C14H13ClN4O2S?
The molecular weight of C14H13ClN4O2S is 336.04 g/mol.
Where can I buy C14H13ClN4O2S?
You can request a quote for C14H13ClN4O2S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C14H13ClN4O2S?
Yes, KEHONG BIO provides custom synthesis services for C14H13ClN4O2S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.