AB00111149-01
TL;DR: AB00111149-01 (CAS 429640-77-7) 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.
N-[3-[5-[2-(2-chloroanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]-2-methylbenzamide
Also Known As: AB00111149-01, N-[3-[5-[2-(2-chloroanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]-2-methylbenzamide, N-{3-[5-({2-[(2-chlorophenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]phenyl}-2-methylbenzamide, N-(3-(5-((2-((2-chlorophenyl)amino)-2-oxoethyl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)phenyl)-2-methylbenzamide
| 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 | 1354.6527 |
Chemical Identifiers
| CAS Number | 429640-77-7 |
|---|---|
| SMILES | CC1=CC=CC=C1C(=O)NC2=CC=CC(=C2)C3=NN=C(N3C)SCC(=O)NC4=CC=CC=C4Cl |
Product Overview
AB00111149-01 (CAS 429640-77-7), with molecular formula C25H22ClN5O2S and molecular weight 491.12 g/mol. IUPAC: N-[3-[5-[2-(2-chloroanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]-2-methylbenzamide.
Chemical Property Profile of AB00111149-01
Property Insights of AB00111149-01
The XLogP value of 5.42702 indicates that AB00111149-01 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 AB00111149-01. Following Lipinski's Rule of Five, AB00111149-01 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 AB00111149-01?
The CAS number of AB00111149-01 is 429640-77-7.
What is the molecular formula of AB00111149-01?
The molecular formula of AB00111149-01 is C25H22ClN5O2S.
What is the molecular weight of AB00111149-01?
The molecular weight of AB00111149-01 is 491.12 g/mol.
Where can I buy AB00111149-01?
You can request a quote for AB00111149-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00111149-01?
Yes, KEHONG BIO provides custom synthesis services for AB00111149-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.