BAS 00410845
TL;DR: BAS 00410845 (CAS 5473-06-3) is a chemical compound with molecular formula C24H30BrNO3 and molecular weight 459.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentyl 4-(3-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: BAS 00410845, pentyl 4-(3-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, pentyl 4-(3-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate, pentyl 4-(3-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,7,8-pentahydroquinoline-3 -carboxylate
| Molecular Formula | C24H30BrNO3 |
|---|---|
| Molecular Weight | 459.14 g/mol |
| LogP | 5.7865 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 459.1409 |
| Heavy Atoms | 29 |
| Complexity | 881.8669 |
Chemical Identifiers
| CAS Number | 5473-06-3 |
|---|---|
| SMILES | CCCCCOC(=O)C1=C(NC2=C(C1C3=CC(=CC=C3)Br)C(=O)CC(C2)(C)C)C |
Product Overview
BAS 00410845 (CAS 5473-06-3), with molecular formula C24H30BrNO3 and molecular weight 459.14 g/mol. IUPAC: pentyl 4-(3-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate.
Chemical Property Profile of BAS 00410845
Property Insights of BAS 00410845
The XLogP value of 5.7865 indicates that BAS 00410845 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 00410845 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00410845 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 00410845?
The CAS number of BAS 00410845 is 5473-06-3.
What is the molecular formula of BAS 00410845?
The molecular formula of BAS 00410845 is C24H30BrNO3.
What is the molecular weight of BAS 00410845?
The molecular weight of BAS 00410845 is 459.14 g/mol.
Where can I buy BAS 00410845?
You can request a quote for BAS 00410845 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00410845?
Yes, KEHONG BIO provides custom synthesis services for BAS 00410845 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.