BAS 00161644
TL;DR: BAS 00161644 (CAS 295344-67-1) is a chemical compound with molecular formula C23H28ClNO3 and molecular weight 401.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-(4-chlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: BAS 00161644, butyl 4-(4-chlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, butyl 4-(4-chlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate, butyl 4-(4-chlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate, butyl 4-(4-chlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,7,8-pentahydroquinoline-3 -carboxylate
| Molecular Formula | C23H28ClNO3 |
|---|---|
| Molecular Weight | 401.18 g/mol |
| LogP | 5.2873 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 401.17578 |
| Heavy Atoms | 28 |
| Complexity | 849.10333 |
Chemical Identifiers
| CAS Number | 295344-67-1 |
|---|---|
| SMILES | CCCCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)Cl)C(=O)CC(C2)(C)C)C |
Product Overview
BAS 00161644 (CAS 295344-67-1), with molecular formula C23H28ClNO3 and molecular weight 401.18 g/mol. IUPAC: butyl 4-(4-chlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate.
Chemical Property Profile of BAS 00161644
Property Insights of BAS 00161644
The XLogP value of 5.2873 indicates that BAS 00161644 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 00161644 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00161644 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 00161644?
The CAS number of BAS 00161644 is 295344-67-1.
What is the molecular formula of BAS 00161644?
The molecular formula of BAS 00161644 is C23H28ClNO3.
What is the molecular weight of BAS 00161644?
The molecular weight of BAS 00161644 is 401.18 g/mol.
Where can I buy BAS 00161644?
You can request a quote for BAS 00161644 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00161644?
Yes, KEHONG BIO provides custom synthesis services for BAS 00161644 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.