AB00111554-01
TL;DR: AB00111554-01 (CAS 428860-53-1) is a chemical compound with molecular formula C25H23N5O2S and molecular weight 457.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-[5-(2-anilino-2-oxoethyl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]-4-methylbenzamide
Also Known As: AB00111554-01, AN-988/15291032, N-[3-[5-(2-anilino-2-oxoethyl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]-4-methylbenzamide, N-(3-{5-[(2-anilino-2-oxoethyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}phenyl)-4-methylbenzamide, 4-methyl-N-(3-(4-methyl-5-((2-oxo-2-(phenylamino)ethyl)thio)-4H-1,2,4-triazol-3-yl)phenyl)benzamide
| Molecular Formula | C25H23N5O2S |
|---|---|
| Molecular Weight | 457.16 g/mol |
| LogP | 4.77362 |
| Topological Polar Surface Area | 88.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 457.15726 |
| Heavy Atoms | 33 |
| Complexity | 1269.7191 |
Chemical Identifiers
| CAS Number | 428860-53-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C3=NN=C(N3C)SCC(=O)NC4=CC=CC=C4 |
Product Overview
AB00111554-01 (CAS 428860-53-1), with molecular formula C25H23N5O2S and molecular weight 457.16 g/mol. IUPAC: N-[3-[5-(2-anilino-2-oxoethyl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]-4-methylbenzamide.
Chemical Property Profile of AB00111554-01
Property Insights of AB00111554-01
The XLogP value of 4.77362 indicates that AB00111554-01 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 AB00111554-01. Following Lipinski's Rule of Five, AB00111554-01 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 AB00111554-01?
The CAS number of AB00111554-01 is 428860-53-1.
What is the molecular formula of AB00111554-01?
The molecular formula of AB00111554-01 is C25H23N5O2S.
What is the molecular weight of AB00111554-01?
The molecular weight of AB00111554-01 is 457.16 g/mol.
Where can I buy AB00111554-01?
You can request a quote for AB00111554-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00111554-01?
Yes, KEHONG BIO provides custom synthesis services for AB00111554-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.