BAS 00410564
TL;DR: BAS 00410564 (CAS 5474-31-7) is a chemical compound with molecular formula C26H26BrNO3 and molecular weight 479.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 4-(3-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: BAS 00410564, benzyl 4-(3-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate, BIM-0020946.P001, benzyl 4-(3-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, benzyl 4-(3-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
| Molecular Formula | C26H26BrNO3 |
|---|---|
| Molecular Weight | 479.11 g/mol |
| LogP | 5.7965 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 479.10962 |
| Heavy Atoms | 31 |
| Complexity | 1098.645 |
Chemical Identifiers
| CAS Number | 5474-31-7 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=CC=C3)Br)C(=O)OCC4=CC=CC=C4 |
Product Overview
BAS 00410564 (CAS 5474-31-7), with molecular formula C26H26BrNO3 and molecular weight 479.11 g/mol. IUPAC: benzyl 4-(3-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate.
Chemical Property Profile of BAS 00410564
Property Insights of BAS 00410564
The XLogP value of 5.7965 indicates that BAS 00410564 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 00410564 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00410564 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00410564?
The CAS number of BAS 00410564 is 5474-31-7.
What is the molecular formula of BAS 00410564?
The molecular formula of BAS 00410564 is C26H26BrNO3.
What is the molecular weight of BAS 00410564?
The molecular weight of BAS 00410564 is 479.11 g/mol.
Where can I buy BAS 00410564?
You can request a quote for BAS 00410564 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00410564?
Yes, KEHONG BIO provides custom synthesis services for BAS 00410564 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.