AB00678417-01
TL;DR: AB00678417-01 (CAS 891102-51-5) is a chemical compound with molecular formula C19H15ClFN3O2S and molecular weight 403.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-chlorophenyl)methylsulfanyl]-N-(4-fluorophenyl)-1-methyl-6-oxopyrimidine-5-carboxamide
Also Known As: AB00678417-01, F2501-0193, 2-[(3-chlorophenyl)methylsulfanyl]-N-(4-fluorophenyl)-1-methyl-6-oxopyrimidine-5-carboxamide, 2-((3-chlorobenzyl)thio)-N-(4-fluorophenyl)-1-methyl-6-oxo-1,6-dihydropyrimidine-5-carboxamide, 2-{[(3-chlorophenyl)methyl]sulfanyl}-N-(4-fluorophenyl)-1-methyl-6-oxo-1,6-dihydropyrimidine-5-carboxamide
| Molecular Formula | C19H15ClFN3O2S |
|---|---|
| Molecular Weight | 403.06 g/mol |
| LogP | 4.1174 |
| Topological Polar Surface Area | 63.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 403.05576 |
| Heavy Atoms | 27 |
| Complexity | 1037.8699 |
Chemical Identifiers
| CAS Number | 891102-51-5 |
|---|---|
| SMILES | CN1C(=O)C(=CN=C1SCC2=CC(=CC=C2)Cl)C(=O)NC3=CC=C(C=C3)F |
Product Overview
AB00678417-01 (CAS 891102-51-5), with molecular formula C19H15ClFN3O2S and molecular weight 403.06 g/mol. IUPAC: 2-[(3-chlorophenyl)methylsulfanyl]-N-(4-fluorophenyl)-1-methyl-6-oxopyrimidine-5-carboxamide.
Chemical Property Profile of AB00678417-01
Property Insights of AB00678417-01
The XLogP value of 4.1174 indicates that AB00678417-01 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 AB00678417-01. Following Lipinski's Rule of Five, AB00678417-01 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 AB00678417-01?
The CAS number of AB00678417-01 is 891102-51-5.
What is the molecular formula of AB00678417-01?
The molecular formula of AB00678417-01 is C19H15ClFN3O2S.
What is the molecular weight of AB00678417-01?
The molecular weight of AB00678417-01 is 403.06 g/mol.
Where can I buy AB00678417-01?
You can request a quote for AB00678417-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00678417-01?
Yes, KEHONG BIO provides custom synthesis services for AB00678417-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.