AB00678410-01
TL;DR: AB00678410-01 (CAS 891099-90-4) is a chemical compound with molecular formula C21H19N3O3S and molecular weight 393.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanyl-6-oxo-N-phenylpyrimidine-5-carboxamide
Also Known As: AB00678410-01, F2501-0084, 1-methyl-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanyl-6-oxo-N-phenylpyrimidine-5-carboxamide, 1-methyl-2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-6-oxo-N-phenyl-1,6-dihydropyrimidine-5-carboxamide, 1-methyl-6-oxo-2-((2-oxo-2-(p-tolyl)ethyl)thio)-N-phenyl-1,6-dihydropyrimidine-5-carboxamide
| Molecular Formula | C21H19N3O3S |
|---|---|
| Molecular Weight | 393.11 g/mol |
| LogP | 3.31602 |
| Topological Polar Surface Area | 81.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 393.11472 |
| Heavy Atoms | 28 |
| Complexity | 1060.5039 |
Chemical Identifiers
| CAS Number | 891099-90-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)CSC2=NC=C(C(=O)N2C)C(=O)NC3=CC=CC=C3 |
Product Overview
AB00678410-01 (CAS 891099-90-4), with molecular formula C21H19N3O3S and molecular weight 393.11 g/mol. IUPAC: 1-methyl-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanyl-6-oxo-N-phenylpyrimidine-5-carboxamide.
Chemical Property Profile of AB00678410-01
Property Insights of AB00678410-01
The XLogP value of 3.31602 indicates that AB00678410-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.06 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00678410-01. Following Lipinski's Rule of Five, AB00678410-01 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 AB00678410-01?
The CAS number of AB00678410-01 is 891099-90-4.
What is the molecular formula of AB00678410-01?
The molecular formula of AB00678410-01 is C21H19N3O3S.
What is the molecular weight of AB00678410-01?
The molecular weight of AB00678410-01 is 393.11 g/mol.
Where can I buy AB00678410-01?
You can request a quote for AB00678410-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00678410-01?
Yes, KEHONG BIO provides custom synthesis services for AB00678410-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.