BAS 00410826
TL;DR: BAS 00410826 (CAS 299946-68-2) is a chemical compound with molecular formula C25H30BrNO3 and molecular weight 471.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclohexyl 4-(3-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: BAS 00410826, cyclohexyl 4-(3-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, cyclohexyl 4-(3-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate, cyclohexyl 4-(3-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,7,8-pentahydroquinoli ne-3-carboxylate
| Molecular Formula | C25H30BrNO3 |
|---|---|
| Molecular Weight | 471.14 g/mol |
| LogP | 5.929 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 471.1409 |
| Heavy Atoms | 30 |
| Complexity | 937.46704 |
Chemical Identifiers
| CAS Number | 299946-68-2 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=CC=C3)Br)C(=O)OC4CCCCC4 |
Product Overview
BAS 00410826 (CAS 299946-68-2), with molecular formula C25H30BrNO3 and molecular weight 471.14 g/mol. IUPAC: cyclohexyl 4-(3-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate.
Chemical Property Profile of BAS 00410826
Property Insights of BAS 00410826
The XLogP value of 5.929 indicates that BAS 00410826 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 00410826 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00410826 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 00410826?
The CAS number of BAS 00410826 is 299946-68-2.
What is the molecular formula of BAS 00410826?
The molecular formula of BAS 00410826 is C25H30BrNO3.
What is the molecular weight of BAS 00410826?
The molecular weight of BAS 00410826 is 471.14 g/mol.
Where can I buy BAS 00410826?
You can request a quote for BAS 00410826 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00410826?
Yes, KEHONG BIO provides custom synthesis services for BAS 00410826 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.