![[4-Allyl-5-(3-chloro-phenyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-acetic acid structure](/static/products/1820/18204-74-5.webp)
[4-Allyl-5-(3-chloro-phenyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-acetic acid
TL;DR: [4-Allyl-5-(3-chloro-phenyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-acetic acid (CAS 18204-74-5) is a chemical compound with molecular formula C13H12ClN3O2S and molecular weight 309.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(3-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
Also Known As: [4-Allyl-5-(3-chloro-phenyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-acetic acid|2-((4-allyl-5-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid|2-[[5-(3-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid|SMR000046161|MLS000083150|MLS002584045
| Molecular Formula | C13H12ClN3O2S |
|---|---|
| Molecular Weight | 309.03 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 93.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 309.03387 |
| Heavy Atoms | 20 |
| Complexity | 359.0 |
Chemical Identifiers
| CAS Number | 18204-74-5 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC(=O)O)C2=CC(=CC=C2)Cl |
| InChIKey | GBIRATXNFQZFIA-UHFFFAOYSA-N |
Product Overview
[4-Allyl-5-(3-chloro-phenyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-acetic acid (CAS 18204-74-5), with molecular formula C13H12ClN3O2S and molecular weight 309.03 g/mol. IUPAC: 2-[[5-(3-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid.
Chemical Property Profile of [4-Allyl-5-(3-chloro-phenyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-acetic acid
Property Insights of [4-Allyl-5-(3-chloro-phenyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-acetic acid
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [4-Allyl-5-(3-chloro-phenyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-acetic acid. The TPSA of 93.3 Ų falls within the moderate polarity range, balancing permeability and solubility for [4-Allyl-5-(3-chloro-phenyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-acetic acid. Following Lipinski's Rule of Five, [4-Allyl-5-(3-chloro-phenyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-acetic acid 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 [4-Allyl-5-(3-chloro-phenyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-acetic acid?
The CAS number of [4-Allyl-5-(3-chloro-phenyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-acetic acid is 18204-74-5.
What is the molecular formula of [4-Allyl-5-(3-chloro-phenyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-acetic acid?
The molecular formula of [4-Allyl-5-(3-chloro-phenyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-acetic acid is C13H12ClN3O2S.
What is the molecular weight of [4-Allyl-5-(3-chloro-phenyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-acetic acid?
The molecular weight of [4-Allyl-5-(3-chloro-phenyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-acetic acid is 309.03 g/mol.
Where can I buy [4-Allyl-5-(3-chloro-phenyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-acetic acid?
You can request a quote for [4-Allyl-5-(3-chloro-phenyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-Allyl-5-(3-chloro-phenyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for [4-Allyl-5-(3-chloro-phenyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.