BAS 00411154
TL;DR: BAS 00411154 (CAS 5472-87-7) is a chemical compound with molecular formula C23H26ClNO3 and molecular weight 399.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclohexyl 4-(2-chlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: BAS 00411154, cyclohexyl 4-(2-chlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate, 1-ethylsulfanylmethyl-4-p-tolyl-piperazine, cyclohexyl 4-(2-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, 4-(2-Chloro-phenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-quinoline-3-carboxylic
| Molecular Formula | C23H26ClNO3 |
|---|---|
| Molecular Weight | 399.16 g/mol |
| LogP | 5.1838 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 399.16013 |
| Heavy Atoms | 28 |
| Complexity | 864.35333 |
Chemical Identifiers
| CAS Number | 5472-87-7 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=CC=C3Cl)C(=O)OC4CCCCC4 |
Product Overview
BAS 00411154 (CAS 5472-87-7), with molecular formula C23H26ClNO3 and molecular weight 399.16 g/mol. IUPAC: cyclohexyl 4-(2-chlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of BAS 00411154
Property Insights of BAS 00411154
The XLogP value of 5.1838 indicates that BAS 00411154 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 00411154 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00411154 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 00411154?
The CAS number of BAS 00411154 is 5472-87-7.
What is the molecular formula of BAS 00411154?
The molecular formula of BAS 00411154 is C23H26ClNO3.
What is the molecular weight of BAS 00411154?
The molecular weight of BAS 00411154 is 399.16 g/mol.
Where can I buy BAS 00411154?
You can request a quote for BAS 00411154 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00411154?
Yes, KEHONG BIO provides custom synthesis services for BAS 00411154 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.