BAS 00458503
TL;DR: BAS 00458503 (CAS 331675-87-7) is a chemical compound with molecular formula C19H19N3O2S and molecular weight 353.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-hydroxyphenyl)-6-methyl-N-(2-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
Also Known As: BAS 00458503, AB00087881-01, 4-(2-hydroxyphenyl)-6-methyl-N-(2-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide, 4-(2-hydroxyphenyl)-6-methyl-N-(2-methylphenyl)-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxamide, [6-(2-hydroxyphenyl)-4-methyl-2-thioxo(1,3,6-trihydropyrimidin-5-yl)]-N-(2-met hylphenyl)carboxamide
| Molecular Formula | C19H19N3O2S |
|---|---|
| Molecular Weight | 353.12 g/mol |
| LogP | 3.13212 |
| Topological Polar Surface Area | 73.39 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 353.1198 |
| Heavy Atoms | 25 |
| Complexity | 876.47784 |
Chemical Identifiers
| CAS Number | 331675-87-7 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)C2=C(NC(=S)NC2C3=CC=CC=C3O)C |
Product Overview
BAS 00458503 (CAS 331675-87-7), with molecular formula C19H19N3O2S and molecular weight 353.12 g/mol. IUPAC: 4-(2-hydroxyphenyl)-6-methyl-N-(2-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide.
Chemical Property Profile of BAS 00458503
Property Insights of BAS 00458503
The XLogP value of 3.13212 indicates that BAS 00458503 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.39 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00458503. Following Lipinski's Rule of Five, BAS 00458503 has 4 hydrogen bond donor(s) and 3 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 00458503?
The CAS number of BAS 00458503 is 331675-87-7.
What is the molecular formula of BAS 00458503?
The molecular formula of BAS 00458503 is C19H19N3O2S.
What is the molecular weight of BAS 00458503?
The molecular weight of BAS 00458503 is 353.12 g/mol.
Where can I buy BAS 00458503?
You can request a quote for BAS 00458503 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00458503?
Yes, KEHONG BIO provides custom synthesis services for BAS 00458503 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.