C17H13ClN4S
TL;DR: C17H13ClN4S (CAS 613248-61-6) is a chemical compound with molecular formula C17H13ClN4S and molecular weight 340.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-chlorophenyl)-4-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione
Also Known As: 4-((1E,3E)-4-phenyl-1-azabuta-1,3-dienyl)-5-(2-chlorophenyl)-1,2,4-triazole-3- thiol, 5-(2-chlorophenyl)-4-((E)-((E)-3-phenylallylidene)amino)-4H-1,2,4-triazole-3-thiol, 5-(2-chlorophenyl)-4-{[(1E,2E)-3-phenylprop-2-en-1-ylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C17H13ClN4S |
|---|---|
| Molecular Weight | 340.05 g/mol |
| LogP | 4.80839 |
| Topological Polar Surface Area | 45.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 340.05493 |
| Heavy Atoms | 23 |
| Complexity | 909.5977 |
Chemical Identifiers
| CAS Number | 613248-61-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C/C=N/N2C(=NNC2=S)C3=CC=CC=C3Cl |
Product Overview
C17H13ClN4S (CAS 613248-61-6), with molecular formula C17H13ClN4S and molecular weight 340.05 g/mol. IUPAC: 3-(2-chlorophenyl)-4-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of C17H13ClN4S
Property Insights of C17H13ClN4S
The XLogP value of 4.80839 indicates that C17H13ClN4S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.97 Ų, C17H13ClN4S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C17H13ClN4S has 1 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 C17H13ClN4S?
The CAS number of C17H13ClN4S is 613248-61-6.
What is the molecular formula of C17H13ClN4S?
The molecular formula of C17H13ClN4S is C17H13ClN4S.
What is the molecular weight of C17H13ClN4S?
The molecular weight of C17H13ClN4S is 340.05 g/mol.
Where can I buy C17H13ClN4S?
You can request a quote for C17H13ClN4S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C17H13ClN4S?
Yes, KEHONG BIO provides custom synthesis services for C17H13ClN4S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.