AB00111097-01
TL;DR: AB00111097-01 (CAS 429638-98-2) is a chemical compound with molecular formula C25H22FN5O3S and molecular weight 491.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-fluoro-N-[3-[5-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]benzamide
Also Known As: AB00111097-01, AN-988/15291092, 2-fluoro-N-[3-(5-{[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)phenyl]benzamide, 2-fluoro-N-[3-[5-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]benzamide, 2-fluoro-N-(3-(5-((2-((2-methoxyphenyl)amino)-2-oxoethyl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)phenyl)benzamide
| Molecular Formula | C25H22FN5O3S |
|---|---|
| Molecular Weight | 491.14 g/mol |
| LogP | 4.6129 |
| Topological Polar Surface Area | 98.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 491.14273 |
| Heavy Atoms | 35 |
| Complexity | 1374.7318 |
Chemical Identifiers
| CAS Number | 429638-98-2 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2OC)C3=CC(=CC=C3)NC(=O)C4=CC=CC=C4F |
Product Overview
AB00111097-01 (CAS 429638-98-2), with molecular formula C25H22FN5O3S and molecular weight 491.14 g/mol. IUPAC: 2-fluoro-N-[3-[5-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]benzamide.
Chemical Property Profile of AB00111097-01
Property Insights of AB00111097-01
The XLogP value of 4.6129 indicates that AB00111097-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.14 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00111097-01. Following Lipinski's Rule of Five, AB00111097-01 has 2 hydrogen bond donor(s) and 6 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 AB00111097-01?
The CAS number of AB00111097-01 is 429638-98-2.
What is the molecular formula of AB00111097-01?
The molecular formula of AB00111097-01 is C25H22FN5O3S.
What is the molecular weight of AB00111097-01?
The molecular weight of AB00111097-01 is 491.14 g/mol.
Where can I buy AB00111097-01?
You can request a quote for AB00111097-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00111097-01?
Yes, KEHONG BIO provides custom synthesis services for AB00111097-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.