BAS 00891216
TL;DR: BAS 00891216 (CAS 306749-70-2) is a chemical compound with molecular formula C22H26BrNO3 and molecular weight 431.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 4-(3-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: BAS 00891216, propyl 4-(3-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, propyl 4-(3-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate, propyl 4-(3-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,7,8-pentahydroquinoline-3 -carboxylate
| Molecular Formula | C22H26BrNO3 |
|---|---|
| Molecular Weight | 431.11 g/mol |
| LogP | 5.0063 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 431.10962 |
| Heavy Atoms | 27 |
| Complexity | 850.8688 |
Chemical Identifiers
| CAS Number | 306749-70-2 |
|---|---|
| SMILES | CCCOC(=O)C1=C(NC2=C(C1C3=CC(=CC=C3)Br)C(=O)CC(C2)(C)C)C |
Product Overview
BAS 00891216 (CAS 306749-70-2), with molecular formula C22H26BrNO3 and molecular weight 431.11 g/mol. IUPAC: propyl 4-(3-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate.
Chemical Property Profile of BAS 00891216
Property Insights of BAS 00891216
The XLogP value of 5.0063 indicates that BAS 00891216 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 00891216 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00891216 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 00891216?
The CAS number of BAS 00891216 is 306749-70-2.
What is the molecular formula of BAS 00891216?
The molecular formula of BAS 00891216 is C22H26BrNO3.
What is the molecular weight of BAS 00891216?
The molecular weight of BAS 00891216 is 431.11 g/mol.
Where can I buy BAS 00891216?
You can request a quote for BAS 00891216 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00891216?
Yes, KEHONG BIO provides custom synthesis services for BAS 00891216 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.