![({5-[3-(acetylamino)phenyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid structure](/static/products/445/445422-41-3.png)
({5-[3-(acetylamino)phenyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid
TL;DR: ({5-[3-(acetylamino)phenyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid (CAS 445422-41-3) is a chemical compound with molecular formula C13H14N4O3S and molecular weight 306.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(3-acetamidophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
Also Known As: 2-[[5-(3-acetamidophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic Acid, ({5-[3-(acetylamino)phenyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid, {[5-(3-ACETAMIDOPHENYL)-4-METHYL-1,2,4-TRIAZOL-3-YL]SULFANYL}ACETIC ACID, 2-((5-(3-acetamidophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetic acid
| Molecular Formula | C13H14N4O3S |
|---|---|
| Molecular Weight | 306.08 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 306.07867 |
| Heavy Atoms | 21 |
| Complexity | 396.0 |
Chemical Identifiers
| CAS Number | 445422-41-3 |
|---|---|
| SMILES | CC(=O)NC1=CC=CC(=C1)C2=NN=C(N2C)SCC(=O)O |
| InChIKey | UYDWBBSPDNBHSS-UHFFFAOYSA-N |
Product Overview
({5-[3-(acetylamino)phenyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid (CAS 445422-41-3), with molecular formula C13H14N4O3S and molecular weight 306.08 g/mol. IUPAC: 2-[[5-(3-acetamidophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid.
Chemical Property Profile of ({5-[3-(acetylamino)phenyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid
Property Insights of ({5-[3-(acetylamino)phenyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ({5-[3-(acetylamino)phenyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ({5-[3-(acetylamino)phenyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid. Following Lipinski's Rule of Five, ({5-[3-(acetylamino)phenyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid has 2 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 ({5-[3-(acetylamino)phenyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid?
The CAS number of ({5-[3-(acetylamino)phenyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid is 445422-41-3.
What is the molecular formula of ({5-[3-(acetylamino)phenyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid?
The molecular formula of ({5-[3-(acetylamino)phenyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid is C13H14N4O3S.
What is the molecular weight of ({5-[3-(acetylamino)phenyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid?
The molecular weight of ({5-[3-(acetylamino)phenyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid is 306.08 g/mol.
Where can I buy ({5-[3-(acetylamino)phenyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid?
You can request a quote for ({5-[3-(acetylamino)phenyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ({5-[3-(acetylamino)phenyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for ({5-[3-(acetylamino)phenyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.