AB00722591-01
TL;DR: AB00722591-01 (CAS 733031-54-4) is a chemical compound with molecular formula C18H16N4O3S and molecular weight 368.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-[3-(3-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzoic acid
Also Known As: AB00722591-01, 4-(((3-(3-Ethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4(5H)-yl)imino)methyl)benzoic acid, 4-(((3-(3-ETHOXYPHENYL)-5-MERCAPTO-4H-1,2,4-TRIAZOL-4-YL)IMINO)ME)BENZOIC ACID, 4-{(1E)-2-[5-(3-ethoxyphenyl)-3-sulfanyl(1,2,4-triazol-4-yl)]-2-azavinyl}benzo ic acid, 4-[(E)-[3-(3-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzoic acid
| Molecular Formula | C18H16N4O3S |
|---|---|
| Molecular Weight | 368.09 g/mol |
| LogP | 3.58679 |
| Topological Polar Surface Area | 92.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 368.0943 |
| Heavy Atoms | 26 |
| Complexity | 1005.7757 |
Chemical Identifiers
| CAS Number | 733031-54-4 |
|---|---|
| SMILES | CCOC1=CC=CC(=C1)C2=NNC(=S)N2/N=C/C3=CC=C(C=C3)C(=O)O |
Product Overview
AB00722591-01 (CAS 733031-54-4), with molecular formula C18H16N4O3S and molecular weight 368.09 g/mol. IUPAC: 4-[(E)-[3-(3-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzoic acid.
Chemical Property Profile of AB00722591-01
Property Insights of AB00722591-01
The XLogP value of 3.58679 indicates that AB00722591-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.5 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00722591-01. Following Lipinski's Rule of Five, AB00722591-01 has 2 hydrogen bond donor(s) and 5 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 AB00722591-01?
The CAS number of AB00722591-01 is 733031-54-4.
What is the molecular formula of AB00722591-01?
The molecular formula of AB00722591-01 is C18H16N4O3S.
What is the molecular weight of AB00722591-01?
The molecular weight of AB00722591-01 is 368.09 g/mol.
Where can I buy AB00722591-01?
You can request a quote for AB00722591-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00722591-01?
Yes, KEHONG BIO provides custom synthesis services for AB00722591-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.