AN-988/40764675
TL;DR: AN-988/40764675 (CAS 496053-91-9) is a chemical compound with molecular formula C24H18FN5O4S and molecular weight 491.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-fluoro-N-[3-[4-methyl-5-[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]benzamide
Also Known As: AN-988/40764675, 2-fluoro-N-[3-[4-methyl-5-[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]benzamide, 2-fluoro-N-(3-(4-methyl-5-(2-(4-nitrophenyl)-2-oxoethylthio)-4H-1,2,4-triazol-3-yl)phenyl)benzamide, 2-fluoro-N-(3-(4-methyl-5-((2-(4-nitrophenyl)-2-oxoethyl)thio)-4H-1,2,4-triazol-3-yl)phenyl)benzamide, 2-fluoro-N-(3-{5-[(2-{4-nitrophenyl}-2-oxoethyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}phenyl)benzamide
| Molecular Formula | C24H18FN5O4S |
|---|---|
| Molecular Weight | 491.11 g/mol |
| LogP | 4.7567 |
| Topological Polar Surface Area | 120.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 491.10635 |
| Heavy Atoms | 35 |
| Complexity | 1421.699 |
Chemical Identifiers
| CAS Number | 496053-91-9 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC(=CC=C3)NC(=O)C4=CC=CC=C4F |
Product Overview
AN-988/40764675 (CAS 496053-91-9), with molecular formula C24H18FN5O4S and molecular weight 491.11 g/mol. IUPAC: 2-fluoro-N-[3-[4-methyl-5-[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]benzamide.
Chemical Property Profile of AN-988/40764675
Property Insights of AN-988/40764675
The XLogP value of 4.7567 indicates that AN-988/40764675 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.02 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-988/40764675. Following Lipinski's Rule of Five, AN-988/40764675 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 AN-988/40764675?
The CAS number of AN-988/40764675 is 496053-91-9.
What is the molecular formula of AN-988/40764675?
The molecular formula of AN-988/40764675 is C24H18FN5O4S.
What is the molecular weight of AN-988/40764675?
The molecular weight of AN-988/40764675 is 491.11 g/mol.
Where can I buy AN-988/40764675?
You can request a quote for AN-988/40764675 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-988/40764675?
Yes, KEHONG BIO provides custom synthesis services for AN-988/40764675 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.