AB00111193-01
TL;DR: AB00111193-01 (CAS 429642-50-2) is a chemical compound with molecular formula C25H22ClN5O2S and molecular weight 491.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-[4-[4-methyl-5-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]benzamide
Also Known As: AB00111193-01, 2-chloro-N-[4-[4-methyl-5-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]benzamide, 2-chloro-N-{4-[4-methyl-5-({2-[(4-methylphenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]phenyl}benzamide
| Molecular Formula | C25H22ClN5O2S |
|---|---|
| Molecular Weight | 491.12 g/mol |
| LogP | 5.42702 |
| Topological Polar Surface Area | 88.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 491.1183 |
| Heavy Atoms | 34 |
| Complexity | 1320.1527 |
Chemical Identifiers
| CAS Number | 429642-50-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4Cl |
Product Overview
AB00111193-01 (CAS 429642-50-2), with molecular formula C25H22ClN5O2S and molecular weight 491.12 g/mol. IUPAC: 2-chloro-N-[4-[4-methyl-5-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]benzamide.
Chemical Property Profile of AB00111193-01
Property Insights of AB00111193-01
The XLogP value of 5.42702 indicates that AB00111193-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.91 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00111193-01. Following Lipinski's Rule of Five, AB00111193-01 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00111193-01?
The CAS number of AB00111193-01 is 429642-50-2.
What is the molecular formula of AB00111193-01?
The molecular formula of AB00111193-01 is C25H22ClN5O2S.
What is the molecular weight of AB00111193-01?
The molecular weight of AB00111193-01 is 491.12 g/mol.
Where can I buy AB00111193-01?
You can request a quote for AB00111193-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00111193-01?
Yes, KEHONG BIO provides custom synthesis services for AB00111193-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.