BAS 00458578
TL;DR: BAS 00458578 (CAS 314052-38-5) is a chemical compound with molecular formula C19H17Cl2N3OS and molecular weight 405.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,4-dichlorophenyl)-6-methyl-N-(4-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
Also Known As: BAS 00458578, BIM-0022355.P001, 4-(2,4-dichlorophenyl)-6-methyl-2-thioxo-N-(p-tolyl)-1,2,3,4-tetrahydropyrimidine-5-carboxamide, 4-(2,4-dichlorophenyl)-6-methyl-N-(4-methylphenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide, F1011-1408
| Molecular Formula | C19H17Cl2N3OS |
|---|---|
| Molecular Weight | 405.05 g/mol |
| LogP | 4.73332 |
| Topological Polar Surface Area | 53.16 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 405.04694 |
| Heavy Atoms | 26 |
| Complexity | 909.5003 |
Chemical Identifiers
| CAS Number | 314052-38-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)C2=C(NC(=S)NC2C3=C(C=C(C=C3)Cl)Cl)C |
Product Overview
BAS 00458578 (CAS 314052-38-5), with molecular formula C19H17Cl2N3OS and molecular weight 405.05 g/mol. IUPAC: 4-(2,4-dichlorophenyl)-6-methyl-N-(4-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide.
Chemical Property Profile of BAS 00458578
Property Insights of BAS 00458578
The XLogP value of 4.73332 indicates that BAS 00458578 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 00458578 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00458578 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 00458578?
The CAS number of BAS 00458578 is 314052-38-5.
What is the molecular formula of BAS 00458578?
The molecular formula of BAS 00458578 is C19H17Cl2N3OS.
What is the molecular weight of BAS 00458578?
The molecular weight of BAS 00458578 is 405.05 g/mol.
Where can I buy BAS 00458578?
You can request a quote for BAS 00458578 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00458578?
Yes, KEHONG BIO provides custom synthesis services for BAS 00458578 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.