AB00678432-01
TL;DR: AB00678432-01 (CAS 891111-32-3) is a chemical compound with molecular formula C21H20FN3O2S and molecular weight 397.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,4-dimethylphenyl)-2-[(4-fluorophenyl)methylsulfanyl]-1-methyl-6-oxopyrimidine-5-carboxamide
Also Known As: AB00678432-01, F2501-0952, N-(3,4-dimethylphenyl)-2-((4-fluorobenzyl)thio)-1-methyl-6-oxo-1,6-dihydropyrimidine-5-carboxamide, N-(3,4-dimethylphenyl)-2-[(4-fluorophenyl)methylsulfanyl]-1-methyl-6-oxopyrimidine-5-carboxamide, N-(3,4-dimethylphenyl)-2-{[(4-fluorophenyl)methyl]sulfanyl}-1-methyl-6-oxo-1,6-dihydropyrimidine-5-carboxamide
| Molecular Formula | C21H20FN3O2S |
|---|---|
| Molecular Weight | 397.13 g/mol |
| LogP | 4.08084 |
| Topological Polar Surface Area | 63.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 397.12604 |
| Heavy Atoms | 28 |
| Complexity | 1077.999 |
Chemical Identifiers
| CAS Number | 891111-32-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)C2=CN=C(N(C2=O)C)SCC3=CC=C(C=C3)F)C |
Product Overview
AB00678432-01 (CAS 891111-32-3), with molecular formula C21H20FN3O2S and molecular weight 397.13 g/mol. IUPAC: N-(3,4-dimethylphenyl)-2-[(4-fluorophenyl)methylsulfanyl]-1-methyl-6-oxopyrimidine-5-carboxamide.
Chemical Property Profile of AB00678432-01
Property Insights of AB00678432-01
The XLogP value of 4.08084 indicates that AB00678432-01 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 AB00678432-01. Following Lipinski's Rule of Five, AB00678432-01 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 AB00678432-01?
The CAS number of AB00678432-01 is 891111-32-3.
What is the molecular formula of AB00678432-01?
The molecular formula of AB00678432-01 is C21H20FN3O2S.
What is the molecular weight of AB00678432-01?
The molecular weight of AB00678432-01 is 397.13 g/mol.
Where can I buy AB00678432-01?
You can request a quote for AB00678432-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00678432-01?
Yes, KEHONG BIO provides custom synthesis services for AB00678432-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.