BAS 00689454
TL;DR: BAS 00689454 (CAS 5678-81-9) is a chemical compound with molecular formula C19H18ClN3O2 and molecular weight 355.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chlorophenyl)-6-methyl-N-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
Also Known As: BAS 00689454, 4-(4-chlorophenyl)-6-methyl-N-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide, 4-(4-chlorophenyl)-6-methyl-N-(2-methylphenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxamide, 4-(4-CHLOROPHENYL)-6-METHYL-N-(2-METHYLPHENYL)-2-OXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXAMIDE
| Molecular Formula | C19H18ClN3O2 |
|---|---|
| Molecular Weight | 355.11 g/mol |
| LogP | 3.91502 |
| Topological Polar Surface Area | 70.23 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 355.10876 |
| Heavy Atoms | 25 |
| Complexity | 859.22784 |
Chemical Identifiers
| CAS Number | 5678-81-9 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)C2=C(NC(=O)NC2C3=CC=C(C=C3)Cl)C |
Product Overview
BAS 00689454 (CAS 5678-81-9), with molecular formula C19H18ClN3O2 and molecular weight 355.11 g/mol. IUPAC: 4-(4-chlorophenyl)-6-methyl-N-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.
Chemical Property Profile of BAS 00689454
Property Insights of BAS 00689454
The XLogP value of 3.91502 indicates that BAS 00689454 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.23 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00689454. Following Lipinski's Rule of Five, BAS 00689454 has 3 hydrogen bond donor(s) and 2 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 BAS 00689454?
The CAS number of BAS 00689454 is 5678-81-9.
What is the molecular formula of BAS 00689454?
The molecular formula of BAS 00689454 is C19H18ClN3O2.
What is the molecular weight of BAS 00689454?
The molecular weight of BAS 00689454 is 355.11 g/mol.
Where can I buy BAS 00689454?
You can request a quote for BAS 00689454 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00689454?
Yes, KEHONG BIO provides custom synthesis services for BAS 00689454 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.