AB00682035-01
TL;DR: AB00682035-01 (CAS 300799-64-8) is a chemical compound with molecular formula C19H20N4O2S and molecular weight 368.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-(4-methylanilino)-4-(4-methylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]propanoic acid
Also Known As: AB00682035-01, F0835-0007, 3-(5-thioxo-4-(p-tolyl)-3-(p-tolylamino)-4,5-dihydro-1H-1,2,4-triazol-1-yl)propanoic acid, 3-[4-(4-methylphenyl)-3-[(4-methylphenyl)amino]-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl]propanoic acid, 3-{4-(4-methylphenyl)-3-[(4-methylphenyl)imino]-5-thioxo-1,2,4-triazolidin-1-yl}propanoic acid
| Molecular Formula | C19H20N4O2S |
|---|---|
| Molecular Weight | 368.13 g/mol |
| LogP | 4.23843 |
| Topological Polar Surface Area | 72.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 368.1307 |
| Heavy Atoms | 26 |
| Complexity | 972.26886 |
Chemical Identifiers
| CAS Number | 300799-64-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC2=NN(C(=S)N2C3=CC=C(C=C3)C)CCC(=O)O |
Product Overview
AB00682035-01 (CAS 300799-64-8), with molecular formula C19H20N4O2S and molecular weight 368.13 g/mol. IUPAC: 3-[3-(4-methylanilino)-4-(4-methylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]propanoic acid.
Chemical Property Profile of AB00682035-01
Property Insights of AB00682035-01
The XLogP value of 4.23843 indicates that AB00682035-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.08 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00682035-01. Following Lipinski's Rule of Five, AB00682035-01 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 AB00682035-01?
The CAS number of AB00682035-01 is 300799-64-8.
What is the molecular formula of AB00682035-01?
The molecular formula of AB00682035-01 is C19H20N4O2S.
What is the molecular weight of AB00682035-01?
The molecular weight of AB00682035-01 is 368.13 g/mol.
Where can I buy AB00682035-01?
You can request a quote for AB00682035-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00682035-01?
Yes, KEHONG BIO provides custom synthesis services for AB00682035-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.