AN-988/15291050
TL;DR: AN-988/15291050 (CAS 443668-75-5) is a chemical compound with molecular formula C26H25N5O2S and molecular weight 471.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-N-[3-[4-methyl-5-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]benzamide
Also Known As: AN-988/15291050, 4-methyl-N-[3-(4-methyl-5-{[2-oxo-2-(4-toluidino)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)phenyl]benzamide, 4-methyl-N-[3-[4-methyl-5-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]benzamide, 4-methyl-N-(3-(4-methyl-5-((2-oxo-2-(p-tolylamino)ethyl)thio)-4H-1,2,4-triazol-3-yl)phenyl)benzamide, 4-methyl-N-{3-[4-methyl-5-({2-[(4-methylphenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]phenyl}benzamide
| Molecular Formula | C26H25N5O2S |
|---|---|
| Molecular Weight | 471.17 g/mol |
| LogP | 5.08204 |
| Topological Polar Surface Area | 88.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 471.17288 |
| Heavy Atoms | 34 |
| Complexity | 1314.0377 |
Chemical Identifiers
| CAS Number | 443668-75-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C3=NN=C(N3C)SCC(=O)NC4=CC=C(C=C4)C |
Product Overview
AN-988/15291050 (CAS 443668-75-5), with molecular formula C26H25N5O2S and molecular weight 471.17 g/mol. IUPAC: 4-methyl-N-[3-[4-methyl-5-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]benzamide.
Chemical Property Profile of AN-988/15291050
Property Insights of AN-988/15291050
The XLogP value of 5.08204 indicates that AN-988/15291050 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 AN-988/15291050. Following Lipinski's Rule of Five, AN-988/15291050 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 AN-988/15291050?
The CAS number of AN-988/15291050 is 443668-75-5.
What is the molecular formula of AN-988/15291050?
The molecular formula of AN-988/15291050 is C26H25N5O2S.
What is the molecular weight of AN-988/15291050?
The molecular weight of AN-988/15291050 is 471.17 g/mol.
Where can I buy AN-988/15291050?
You can request a quote for AN-988/15291050 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-988/15291050?
Yes, KEHONG BIO provides custom synthesis services for AN-988/15291050 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.