BAS 00410794
TL;DR: BAS 00410794 (CAS 5473-80-3) is a chemical compound with molecular formula C21H24BrNO3 and molecular weight 417.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-(3-bromophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: BAS 00410794, butyl 4-(3-bromophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate, butyl 4-(3-bromophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
| Molecular Formula | C21H24BrNO3 |
|---|---|
| Molecular Weight | 417.09 g/mol |
| LogP | 4.7603 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 417.09396 |
| Heavy Atoms | 26 |
| Complexity | 794.20087 |
Chemical Identifiers
| CAS Number | 5473-80-3 |
|---|---|
| SMILES | CCCCOC(=O)C1=C(NC2=C(C1C3=CC(=CC=C3)Br)C(=O)CCC2)C |
Product Overview
BAS 00410794 (CAS 5473-80-3), with molecular formula C21H24BrNO3 and molecular weight 417.09 g/mol. IUPAC: butyl 4-(3-bromophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of BAS 00410794
Property Insights of BAS 00410794
The XLogP value of 4.7603 indicates that BAS 00410794 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, BAS 00410794 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00410794 has 1 hydrogen bond donor(s) and 4 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 00410794?
The CAS number of BAS 00410794 is 5473-80-3.
What is the molecular formula of BAS 00410794?
The molecular formula of BAS 00410794 is C21H24BrNO3.
What is the molecular weight of BAS 00410794?
The molecular weight of BAS 00410794 is 417.09 g/mol.
Where can I buy BAS 00410794?
You can request a quote for BAS 00410794 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00410794?
Yes, KEHONG BIO provides custom synthesis services for BAS 00410794 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.