2-phenylethyl 4-(4-chloro-3-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
TL;DR: 2-phenylethyl 4-(4-chloro-3-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate (CAS 347316-79-4) is a chemical compound with molecular formula C27H27ClN2O5 and molecular weight 494.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenylethyl 4-(4-chloro-3-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: 2-phenylethyl 4-(4-chloro-3-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, 2-phenylethyl 4-(4-chloro-3-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,7,8-penta hydroquinoline-3-carboxylate, phenethyl 4-(4-chloro-3-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, phenethyl 4-(4-chloro-3-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
| Molecular Formula | C27H27ClN2O5 |
|---|---|
| Molecular Weight | 494.16 g/mol |
| LogP | 5.6381 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 494.16086 |
| Heavy Atoms | 35 |
| Complexity | 1263.5876 |
Chemical Identifiers
| CAS Number | 347316-79-4 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C(=O)OCCC4=CC=CC=C4 |
Product Overview
2-phenylethyl 4-(4-chloro-3-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate (CAS 347316-79-4), with molecular formula C27H27ClN2O5 and molecular weight 494.16 g/mol. IUPAC: 2-phenylethyl 4-(4-chloro-3-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate.
Chemical Property Profile of 2-phenylethyl 4-(4-chloro-3-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Property Insights of 2-phenylethyl 4-(4-chloro-3-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
The XLogP value of 5.6381 indicates that 2-phenylethyl 4-(4-chloro-3-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-phenylethyl 4-(4-chloro-3-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate. Following Lipinski's Rule of Five, 2-phenylethyl 4-(4-chloro-3-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-phenylethyl 4-(4-chloro-3-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate?
The CAS number of 2-phenylethyl 4-(4-chloro-3-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate is 347316-79-4.
What is the molecular formula of 2-phenylethyl 4-(4-chloro-3-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate?
The molecular formula of 2-phenylethyl 4-(4-chloro-3-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate is C27H27ClN2O5.
What is the molecular weight of 2-phenylethyl 4-(4-chloro-3-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate?
The molecular weight of 2-phenylethyl 4-(4-chloro-3-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate is 494.16 g/mol.
Where can I buy 2-phenylethyl 4-(4-chloro-3-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate?
You can request a quote for 2-phenylethyl 4-(4-chloro-3-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-phenylethyl 4-(4-chloro-3-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-phenylethyl 4-(4-chloro-3-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.