![2-{4-amino-5-[3-(4-methoxyphenyl)pyrazol-5-yl]-1,2,4-triazol-3-ylthio}acetic a cid structure](/static/products/879/879454-05-4.png)
2-{4-amino-5-[3-(4-methoxyphenyl)pyrazol-5-yl]-1,2,4-triazol-3-ylthio}acetic a cid
TL;DR: 2-{4-amino-5-[3-(4-methoxyphenyl)pyrazol-5-yl]-1,2,4-triazol-3-ylthio}acetic a cid (CAS 879454-05-4) is a chemical compound with molecular formula C14H14N6O3S and molecular weight 346.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-amino-5-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid
Also Known As: 2-{4-amino-5-[3-(4-methoxyphenyl)pyrazol-5-yl]-1,2,4-triazol-3-ylthio}acetic a cid, ({4-amino-5-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid, 2-((4-amino-5-(3-(4-methoxyphenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)acetic acid, 2-[[4-amino-5-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid, 2-[[4-amino-5-[5-(4-methoxyphenyl)-2H-pyrazol-3-yl]-1,2,4-triazol-3-yl]sulfanyl]acetic Acid
| Molecular Formula | C14H14N6O3S |
|---|---|
| Molecular Weight | 346.08 g/mol |
| LogP | 1.2343 |
| Topological Polar Surface Area | 131.94 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 346.0848 |
| Heavy Atoms | 24 |
| Complexity | 857.77936 |
Chemical Identifiers
| CAS Number | 879454-05-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NNC(=C2)C3=NN=C(N3N)SCC(=O)O |
Product Overview
2-{4-amino-5-[3-(4-methoxyphenyl)pyrazol-5-yl]-1,2,4-triazol-3-ylthio}acetic a cid (CAS 879454-05-4), with molecular formula C14H14N6O3S and molecular weight 346.08 g/mol. IUPAC: 2-[[4-amino-5-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid.
Chemical Property Profile of 2-{4-amino-5-[3-(4-methoxyphenyl)pyrazol-5-yl]-1,2,4-triazol-3-ylthio}acetic a cid
Property Insights of 2-{4-amino-5-[3-(4-methoxyphenyl)pyrazol-5-yl]-1,2,4-triazol-3-ylthio}acetic a cid
The XLogP value of 1.2343 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{4-amino-5-[3-(4-methoxyphenyl)pyrazol-5-yl]-1,2,4-triazol-3-ylthio}acetic a cid. The TPSA of 131.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{4-amino-5-[3-(4-methoxyphenyl)pyrazol-5-yl]-1,2,4-triazol-3-ylthio}acetic a cid. Following Lipinski's Rule of Five, 2-{4-amino-5-[3-(4-methoxyphenyl)pyrazol-5-yl]-1,2,4-triazol-3-ylthio}acetic a cid has 3 hydrogen bond donor(s) and 7 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-amino-5-[3-(4-methoxyphenyl)pyrazol-5-yl]-1,2,4-triazol-3-ylthio}acetic a cid?
The CAS number of 2-{4-amino-5-[3-(4-methoxyphenyl)pyrazol-5-yl]-1,2,4-triazol-3-ylthio}acetic a cid is 879454-05-4.
What is the molecular formula of 2-{4-amino-5-[3-(4-methoxyphenyl)pyrazol-5-yl]-1,2,4-triazol-3-ylthio}acetic a cid?
The molecular formula of 2-{4-amino-5-[3-(4-methoxyphenyl)pyrazol-5-yl]-1,2,4-triazol-3-ylthio}acetic a cid is C14H14N6O3S.
What is the molecular weight of 2-{4-amino-5-[3-(4-methoxyphenyl)pyrazol-5-yl]-1,2,4-triazol-3-ylthio}acetic a cid?
The molecular weight of 2-{4-amino-5-[3-(4-methoxyphenyl)pyrazol-5-yl]-1,2,4-triazol-3-ylthio}acetic a cid is 346.08 g/mol.
Where can I buy 2-{4-amino-5-[3-(4-methoxyphenyl)pyrazol-5-yl]-1,2,4-triazol-3-ylthio}acetic a cid?
You can request a quote for 2-{4-amino-5-[3-(4-methoxyphenyl)pyrazol-5-yl]-1,2,4-triazol-3-ylthio}acetic a cid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{4-amino-5-[3-(4-methoxyphenyl)pyrazol-5-yl]-1,2,4-triazol-3-ylthio}acetic a cid?
Yes, KEHONG BIO provides custom synthesis services for 2-{4-amino-5-[3-(4-methoxyphenyl)pyrazol-5-yl]-1,2,4-triazol-3-ylthio}acetic a cid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.