AB00678421-01
TL;DR: AB00678421-01 (CAS 891106-08-4) is a chemical compound with molecular formula C19H18N4O2S and molecular weight 366.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-N-(4-methylphenyl)-6-oxo-2-(pyridin-2-ylmethylsulfanyl)pyrimidine-5-carboxamide
Also Known As: AB00678421-01, F2501-0371, 1-methyl-N-(4-methylphenyl)-6-oxo-2-{[(pyridin-2-yl)methyl]sulfanyl}-1,6-dihydropyrimidine-5-carboxamide, 1-methyl-6-oxo-2-((pyridin-2-ylmethyl)thio)-N-(p-tolyl)-1,6-dihydropyrimidine-5-carboxamide, 1-methyl-N-(4-methylphenyl)-6-oxo-2-(pyridin-2-ylmethylsulfanyl)pyrimidine-5-carboxamide
| Molecular Formula | C19H18N4O2S |
|---|---|
| Molecular Weight | 366.12 g/mol |
| LogP | 3.02832 |
| Topological Polar Surface Area | 76.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 366.11505 |
| Heavy Atoms | 26 |
| Complexity | 969.07935 |
Chemical Identifiers
| CAS Number | 891106-08-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)C2=CN=C(N(C2=O)C)SCC3=CC=CC=N3 |
Product Overview
AB00678421-01 (CAS 891106-08-4), with molecular formula C19H18N4O2S and molecular weight 366.12 g/mol. IUPAC: 1-methyl-N-(4-methylphenyl)-6-oxo-2-(pyridin-2-ylmethylsulfanyl)pyrimidine-5-carboxamide.
Chemical Property Profile of AB00678421-01
Property Insights of AB00678421-01
The XLogP value of 3.02832 indicates that AB00678421-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.88 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00678421-01. Following Lipinski's Rule of Five, AB00678421-01 has 1 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 AB00678421-01?
The CAS number of AB00678421-01 is 891106-08-4.
What is the molecular formula of AB00678421-01?
The molecular formula of AB00678421-01 is C19H18N4O2S.
What is the molecular weight of AB00678421-01?
The molecular weight of AB00678421-01 is 366.12 g/mol.
Where can I buy AB00678421-01?
You can request a quote for AB00678421-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00678421-01?
Yes, KEHONG BIO provides custom synthesis services for AB00678421-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.