AB01303881-01
TL;DR: AB01303881-01 (CAS 498538-01-5) is a chemical compound with molecular formula C21H18FN3O3S and molecular weight 411.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-cyano-4-(2-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(4-fluorophenyl)acetamide
Also Known As: AB01303881-01, 2-[[5-cyano-4-(2-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(4-fluorophenyl)acetamide, 2-{[3-cyano-6-hydroxy-4-(2-methoxyphenyl)-4,5-dihydropyridin-2-yl]sulfanyl}-N-(4-fluorophenyl)acetamide, 2-((3-cyano-4-(2-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(4-fluorophenyl)acetamide, 2-{[3-cyano-4-(2-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(4-fluorophenyl)acetamide
| Molecular Formula | C21H18FN3O3S |
|---|---|
| Molecular Weight | 411.11 g/mol |
| LogP | 3.54488 |
| Topological Polar Surface Area | 91.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 411.1053 |
| Heavy Atoms | 29 |
| Complexity | 998.9761 |
Chemical Identifiers
| CAS Number | 498538-01-5 |
|---|---|
| SMILES | COC1=CC=CC=C1C2CC(=O)NC(=C2C#N)SCC(=O)NC3=CC=C(C=C3)F |
Product Overview
AB01303881-01 (CAS 498538-01-5), with molecular formula C21H18FN3O3S and molecular weight 411.11 g/mol. IUPAC: 2-[[5-cyano-4-(2-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(4-fluorophenyl)acetamide.
Chemical Property Profile of AB01303881-01
Property Insights of AB01303881-01
The XLogP value of 3.54488 indicates that AB01303881-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.22 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01303881-01. Following Lipinski's Rule of Five, AB01303881-01 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 AB01303881-01?
The CAS number of AB01303881-01 is 498538-01-5.
What is the molecular formula of AB01303881-01?
The molecular formula of AB01303881-01 is C21H18FN3O3S.
What is the molecular weight of AB01303881-01?
The molecular weight of AB01303881-01 is 411.11 g/mol.
Where can I buy AB01303881-01?
You can request a quote for AB01303881-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01303881-01?
Yes, KEHONG BIO provides custom synthesis services for AB01303881-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.