BAS 00689469
TL;DR: BAS 00689469 (CAS 330453-75-3) 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-(3-bromophenyl)-6-methyl-N-(4-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
Also Known As: BAS 00689469, BIM-0028158.P001, 4-(3-bromophenyl)-6-methyl-N-(4-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide, 4-(3-Bromo-phenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic, [6-(3-bromophenyl)-4-methyl-2-thioxo(1,3,6-trihydropyrimidin-5-yl)]-N-(4-methy lphenyl)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 | 330453-75-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)C2=C(NC(=S)NC2C3=CC(=CC=C3)Br)C |
Product Overview
BAS 00689469 (CAS 330453-75-3), with molecular formula C19H18BrN3OS and molecular weight 415.04 g/mol. IUPAC: 4-(3-bromophenyl)-6-methyl-N-(4-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide.
Chemical Property Profile of BAS 00689469
Property Insights of BAS 00689469
The XLogP value of 4.18902 indicates that BAS 00689469 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 00689469 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00689469 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 00689469?
The CAS number of BAS 00689469 is 330453-75-3.
What is the molecular formula of BAS 00689469?
The molecular formula of BAS 00689469 is C19H18BrN3OS.
What is the molecular weight of BAS 00689469?
The molecular weight of BAS 00689469 is 415.04 g/mol.
Where can I buy BAS 00689469?
You can request a quote for BAS 00689469 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00689469?
Yes, KEHONG BIO provides custom synthesis services for BAS 00689469 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.