AB00678408-01
TL;DR: AB00678408-01 (CAS 891098-74-1) is a chemical compound with molecular formula C19H16FN3O2S and molecular weight 369.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-fluorophenyl)methylsulfanyl]-1-methyl-6-oxo-N-phenylpyrimidine-5-carboxamide
Also Known As: AB00678408-01, F2501-0005, 2-{[(3-fluorophenyl)methyl]sulfanyl}-1-methyl-6-oxo-N-phenyl-1,6-dihydropyrimidine-5-carboxamide, 2-((3-fluorobenzyl)thio)-1-methyl-6-oxo-N-phenyl-1,6-dihydropyrimidine-5-carboxamide, 2-[(3-fluorophenyl)methylsulfanyl]-1-methyl-6-oxo-N-phenylpyrimidine-5-carboxamide
| Molecular Formula | C19H16FN3O2S |
|---|---|
| Molecular Weight | 369.09 g/mol |
| LogP | 3.464 |
| Topological Polar Surface Area | 63.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 369.09473 |
| Heavy Atoms | 26 |
| Complexity | 989.57446 |
Chemical Identifiers
| CAS Number | 891098-74-1 |
|---|---|
| SMILES | CN1C(=O)C(=CN=C1SCC2=CC(=CC=C2)F)C(=O)NC3=CC=CC=C3 |
Product Overview
AB00678408-01 (CAS 891098-74-1), with molecular formula C19H16FN3O2S and molecular weight 369.09 g/mol. IUPAC: 2-[(3-fluorophenyl)methylsulfanyl]-1-methyl-6-oxo-N-phenylpyrimidine-5-carboxamide.
Chemical Property Profile of AB00678408-01
Property Insights of AB00678408-01
The XLogP value of 3.464 indicates that AB00678408-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.99 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00678408-01. Following Lipinski's Rule of Five, AB00678408-01 has 1 hydrogen bond donor(s) and 4 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 AB00678408-01?
The CAS number of AB00678408-01 is 891098-74-1.
What is the molecular formula of AB00678408-01?
The molecular formula of AB00678408-01 is C19H16FN3O2S.
What is the molecular weight of AB00678408-01?
The molecular weight of AB00678408-01 is 369.09 g/mol.
Where can I buy AB00678408-01?
You can request a quote for AB00678408-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00678408-01?
Yes, KEHONG BIO provides custom synthesis services for AB00678408-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.