AB00333115-02
TL;DR: AB00333115-02 (CAS 713097-12-2) is a chemical compound with molecular formula C21H21ClN4O4S and molecular weight 460.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-chloro-5-[[2-[[5-[(4-methoxyphenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: AB00333115-02, methyl 2-chloro-5-[({[5-(4-methoxybenzyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate, methyl 2-chloro-5-(2-((5-(4-methoxybenzyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate, methyl 2-chloro-5-[[2-[[5-[(4-methoxyphenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
| Molecular Formula | C21H21ClN4O4S |
|---|---|
| Molecular Weight | 460.10 g/mol |
| LogP | 3.5853 |
| Topological Polar Surface Area | 95.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 460.0972 |
| Heavy Atoms | 31 |
| Complexity | 1085.4839 |
Chemical Identifiers
| CAS Number | 713097-12-2 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)Cl)C(=O)OC)CC3=CC=C(C=C3)OC |
Product Overview
AB00333115-02 (CAS 713097-12-2), with molecular formula C21H21ClN4O4S and molecular weight 460.10 g/mol. IUPAC: methyl 2-chloro-5-[[2-[[5-[(4-methoxyphenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of AB00333115-02
Property Insights of AB00333115-02
The XLogP value of 3.5853 indicates that AB00333115-02 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.34 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00333115-02. Following Lipinski's Rule of Five, AB00333115-02 has 1 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 AB00333115-02?
The CAS number of AB00333115-02 is 713097-12-2.
What is the molecular formula of AB00333115-02?
The molecular formula of AB00333115-02 is C21H21ClN4O4S.
What is the molecular weight of AB00333115-02?
The molecular weight of AB00333115-02 is 460.10 g/mol.
Where can I buy AB00333115-02?
You can request a quote for AB00333115-02 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00333115-02?
Yes, KEHONG BIO provides custom synthesis services for AB00333115-02 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.