J2.541.321K
TL;DR: J2.541.321K (CAS 488800-80-2) is a chemical compound with molecular formula C17H14N4O2S and molecular weight 338.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(E)-[3-(2-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzoic acid
Also Known As: J2.541.321K, 2-[(E)-[3-(2-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzoic acid, (E)-2-(((3-mercapto-5-(o-tolyl)-4H-1,2,4-triazol-4-yl)imino)methyl)benzoic acid, 2-({[3-(2-methylphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)benzoic acid, 2-({[3-mercapto-5-(2-methylphenyl)-4H-1,2,4-triazol-4-yl]imino}methyl)benzoic acid
| Molecular Formula | C17H14N4O2S |
|---|---|
| Molecular Weight | 338.08 g/mol |
| LogP | 3.49651 |
| Topological Polar Surface Area | 83.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 338.08374 |
| Heavy Atoms | 24 |
| Complexity | 988.0057 |
Chemical Identifiers
| CAS Number | 488800-80-2 |
|---|---|
| SMILES | CC1=CC=CC=C1C2=NNC(=S)N2/N=C/C3=CC=CC=C3C(=O)O |
Product Overview
J2.541.321K (CAS 488800-80-2), with molecular formula C17H14N4O2S and molecular weight 338.08 g/mol. IUPAC: 2-[(E)-[3-(2-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzoic acid.
Chemical Property Profile of J2.541.321K
Property Insights of J2.541.321K
The XLogP value of 3.49651 indicates that J2.541.321K is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.27 Ų falls within the moderate polarity range, balancing permeability and solubility for J2.541.321K. Following Lipinski's Rule of Five, J2.541.321K has 2 hydrogen bond donor(s) and 4 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 J2.541.321K?
The CAS number of J2.541.321K is 488800-80-2.
What is the molecular formula of J2.541.321K?
The molecular formula of J2.541.321K is C17H14N4O2S.
What is the molecular weight of J2.541.321K?
The molecular weight of J2.541.321K is 338.08 g/mol.
Where can I buy J2.541.321K?
You can request a quote for J2.541.321K directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J2.541.321K?
Yes, KEHONG BIO provides custom synthesis services for J2.541.321K and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.