BAS 00288081
TL;DR: BAS 00288081 (CAS 294654-74-3) 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.
ethyl 4-(3-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: BAS 00288081, UPCMLD0ENAT0400-0894:001, J2.809.404C, ethyl 4-(3-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, A2194/0092282
| Molecular Formula | C21H24BrNO3 |
|---|---|
| Molecular Weight | 417.09 g/mol |
| LogP | 4.6162 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 417.09396 |
| Heavy Atoms | 26 |
| Complexity | 835.4129 |
Chemical Identifiers
| CAS Number | 294654-74-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC2=C(C1C3=CC(=CC=C3)Br)C(=O)CC(C2)(C)C)C |
Product Overview
BAS 00288081 (CAS 294654-74-3), with molecular formula C21H24BrNO3 and molecular weight 417.09 g/mol. IUPAC: ethyl 4-(3-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate.
Chemical Property Profile of BAS 00288081
Property Insights of BAS 00288081
The XLogP value of 4.6162 indicates that BAS 00288081 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 00288081 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00288081 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 00288081?
The CAS number of BAS 00288081 is 294654-74-3.
What is the molecular formula of BAS 00288081?
The molecular formula of BAS 00288081 is C21H24BrNO3.
What is the molecular weight of BAS 00288081?
The molecular weight of BAS 00288081 is 417.09 g/mol.
Where can I buy BAS 00288081?
You can request a quote for BAS 00288081 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00288081?
Yes, KEHONG BIO provides custom synthesis services for BAS 00288081 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.