BAS 00458557
TL;DR: BAS 00458557 (CAS 313956-77-3) is a chemical compound with molecular formula C19H19N3OS and molecular weight 337.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-N-(4-methylphenyl)-4-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
Also Known As: BAS 00458557, BIM-0022718.P001, 6-methyl-4-phenyl-2-thioxo-N-(p-tolyl)-1,2,3,4-tetrahydropyrimidine-5-carboxamide, AB00087421-01, 6-methyl-N-(4-methylphenyl)-4-phenyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide
| Molecular Formula | C19H19N3OS |
|---|---|
| Molecular Weight | 337.12 g/mol |
| LogP | 3.42652 |
| Topological Polar Surface Area | 53.16 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 337.12488 |
| Heavy Atoms | 24 |
| Complexity | 797.12146 |
Chemical Identifiers
| CAS Number | 313956-77-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)C2=C(NC(=S)NC2C3=CC=CC=C3)C |
Product Overview
BAS 00458557 (CAS 313956-77-3), with molecular formula C19H19N3OS and molecular weight 337.12 g/mol. IUPAC: 6-methyl-N-(4-methylphenyl)-4-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide.
Chemical Property Profile of BAS 00458557
Property Insights of BAS 00458557
The XLogP value of 3.42652 indicates that BAS 00458557 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.16 Ų, BAS 00458557 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00458557 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 00458557?
The CAS number of BAS 00458557 is 313956-77-3.
What is the molecular formula of BAS 00458557?
The molecular formula of BAS 00458557 is C19H19N3OS.
What is the molecular weight of BAS 00458557?
The molecular weight of BAS 00458557 is 337.12 g/mol.
Where can I buy BAS 00458557?
You can request a quote for BAS 00458557 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00458557?
Yes, KEHONG BIO provides custom synthesis services for BAS 00458557 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.