BAS 01052037
TL;DR: BAS 01052037 (CAS 330848-54-9) is a chemical compound with molecular formula C31H28ClNO4 and molecular weight 513.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenoxyethyl 4-(3-chlorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: BAS 01052037, 2-phenoxyethyl 4-(3-chlorophenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, 2-phenoxyethyl 4-(3-chlorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate, 2-phenoxyethyl 4-(3-chlorophenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate, 2-phenoxyethyl 4-(3-chlorophenyl)-2-methyl-5-oxo-7-phenyl-1,4,6,7,8-pentahydro quinoline-3-carboxylate
| Molecular Formula | C31H28ClNO4 |
|---|---|
| Molecular Weight | 513.17 g/mol |
| LogP | 6.3238 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 513.1707 |
| Heavy Atoms | 37 |
| Complexity | 1364.225 |
Chemical Identifiers
| CAS Number | 330848-54-9 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3)C4=CC(=CC=C4)Cl)C(=O)OCCOC5=CC=CC=C5 |
Product Overview
BAS 01052037 (CAS 330848-54-9), with molecular formula C31H28ClNO4 and molecular weight 513.17 g/mol. IUPAC: 2-phenoxyethyl 4-(3-chlorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of BAS 01052037
Property Insights of BAS 01052037
The XLogP value of 6.3238 indicates that BAS 01052037 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01052037. Following Lipinski's Rule of Five, BAS 01052037 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 01052037?
The CAS number of BAS 01052037 is 330848-54-9.
What is the molecular formula of BAS 01052037?
The molecular formula of BAS 01052037 is C31H28ClNO4.
What is the molecular weight of BAS 01052037?
The molecular weight of BAS 01052037 is 513.17 g/mol.
Where can I buy BAS 01052037?
You can request a quote for BAS 01052037 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01052037?
Yes, KEHONG BIO provides custom synthesis services for BAS 01052037 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.