2-((4-Allyl-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid
TL;DR: 2-((4-Allyl-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid (CAS 313251-07-9) is a chemical compound with molecular formula C15H17N3O4S and molecular weight 335.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(3,4-dimethoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
Also Known As: AJ-292/37212009, 2-((4-Allyl-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid, {[4-allyl-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid, 2-[[5-(3,4-dimethoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetic Acid, 2-{[5-(3,4-dimethoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
| Molecular Formula | C15H17N3O4S |
|---|---|
| Molecular Weight | 335.09 g/mol |
| LogP | 2.325 |
| Topological Polar Surface Area | 86.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 335.09396 |
| Heavy Atoms | 23 |
| Complexity | 714.74274 |
Chemical Identifiers
| CAS Number | 313251-07-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NN=C(N2CC=C)SCC(=O)O)OC |
Product Overview
2-((4-Allyl-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid (CAS 313251-07-9), with molecular formula C15H17N3O4S and molecular weight 335.09 g/mol. IUPAC: 2-[[5-(3,4-dimethoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid.
Chemical Property Profile of 2-((4-Allyl-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid
Property Insights of 2-((4-Allyl-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid
The XLogP value of 2.325 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((4-Allyl-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid. The TPSA of 86.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-Allyl-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid. Following Lipinski's Rule of Five, 2-((4-Allyl-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid has 1 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 2-((4-Allyl-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid?
The CAS number of 2-((4-Allyl-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid is 313251-07-9.
What is the molecular formula of 2-((4-Allyl-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid?
The molecular formula of 2-((4-Allyl-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid is C15H17N3O4S.
What is the molecular weight of 2-((4-Allyl-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid?
The molecular weight of 2-((4-Allyl-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid is 335.09 g/mol.
Where can I buy 2-((4-Allyl-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid?
You can request a quote for 2-((4-Allyl-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-Allyl-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-Allyl-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.