BAS 00944037
TL;DR: BAS 00944037 (CAS 333768-30-2) is a chemical compound with molecular formula C19H18BrN3OS and molecular weight 415.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-bromophenyl)-6-methyl-N-(4-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
Also Known As: BAS 00944037, BIM-0005725.P001, AJ-292/12641063, 4-(2-bromophenyl)-6-methyl-N-(4-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide, 4-(2-bromophenyl)-6-methyl-N-(4-methylphenyl)-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
| Molecular Formula | C19H18BrN3OS |
|---|---|
| Molecular Weight | 415.04 g/mol |
| LogP | 4.18902 |
| Topological Polar Surface Area | 53.16 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 415.0354 |
| Heavy Atoms | 25 |
| Complexity | 861.22784 |
Chemical Identifiers
| CAS Number | 333768-30-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)C2=C(NC(=S)NC2C3=CC=CC=C3Br)C |
Product Overview
BAS 00944037 (CAS 333768-30-2), with molecular formula C19H18BrN3OS and molecular weight 415.04 g/mol. IUPAC: 4-(2-bromophenyl)-6-methyl-N-(4-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide.
Chemical Property Profile of BAS 00944037
Property Insights of BAS 00944037
The XLogP value of 4.18902 indicates that BAS 00944037 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 00944037 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00944037 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 00944037?
The CAS number of BAS 00944037 is 333768-30-2.
What is the molecular formula of BAS 00944037?
The molecular formula of BAS 00944037 is C19H18BrN3OS.
What is the molecular weight of BAS 00944037?
The molecular weight of BAS 00944037 is 415.04 g/mol.
Where can I buy BAS 00944037?
You can request a quote for BAS 00944037 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00944037?
Yes, KEHONG BIO provides custom synthesis services for BAS 00944037 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.