BAS 00689477
TL;DR: BAS 00689477 (CAS 330453-79-7) is a chemical compound with molecular formula C18H15BrClN3OS and molecular weight 434.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-bromophenyl)-4-(4-chlorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
Also Known As: BAS 00689477, F1011-1571, N-(4-bromophenyl)-4-(4-chlorophenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide, N-(4-bromophenyl)-4-(4-chlorophenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide, N-(4-bromophenyl)-4-(4-chlorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
| Molecular Formula | C18H15BrClN3OS |
|---|---|
| Molecular Weight | 434.98 g/mol |
| LogP | 4.534 |
| Topological Polar Surface Area | 53.16 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 434.98077 |
| Heavy Atoms | 25 |
| Complexity | 849.6298 |
Chemical Identifiers
| CAS Number | 330453-79-7 |
|---|---|
| SMILES | CC1=C(C(NC(=S)N1)C2=CC=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)Br |
Product Overview
BAS 00689477 (CAS 330453-79-7), with molecular formula C18H15BrClN3OS and molecular weight 434.98 g/mol. IUPAC: N-(4-bromophenyl)-4-(4-chlorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide.
Chemical Property Profile of BAS 00689477
Property Insights of BAS 00689477
The XLogP value of 4.534 indicates that BAS 00689477 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 00689477 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00689477 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 00689477?
The CAS number of BAS 00689477 is 330453-79-7.
What is the molecular formula of BAS 00689477?
The molecular formula of BAS 00689477 is C18H15BrClN3OS.
What is the molecular weight of BAS 00689477?
The molecular weight of BAS 00689477 is 434.98 g/mol.
Where can I buy BAS 00689477?
You can request a quote for BAS 00689477 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00689477?
Yes, KEHONG BIO provides custom synthesis services for BAS 00689477 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.