ChemDiv1_003327
TL;DR: ChemDiv1_003327 (CAS 5726-44-3) is a chemical compound with molecular formula C29H30N2O6 and molecular weight 502.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclopentyl 7-(4-methoxyphenyl)-2-methyl-4-(3-nitrophenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: ChemDiv1_003327, BAS 01404431, cyclopentyl 7-(4-methoxyphenyl)-2-methyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, cyclopentyl 7-(4-methoxyphenyl)-2-methyl-4-(3-nitrophenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate, cyclopentyl 7-(4-methoxyphenyl)-2-methyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
| Molecular Formula | C29H30N2O6 |
|---|---|
| Molecular Weight | 502.21 g/mol |
| LogP | 5.4508 |
| Topological Polar Surface Area | 107.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 502.2104 |
| Heavy Atoms | 37 |
| Complexity | 1303.9319 |
Chemical Identifiers
| CAS Number | 5726-44-3 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)OC)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC5CCCC5 |
Product Overview
ChemDiv1_003327 (CAS 5726-44-3), with molecular formula C29H30N2O6 and molecular weight 502.21 g/mol. IUPAC: cyclopentyl 7-(4-methoxyphenyl)-2-methyl-4-(3-nitrophenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of ChemDiv1_003327
Property Insights of ChemDiv1_003327
The XLogP value of 5.4508 indicates that ChemDiv1_003327 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.77 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_003327. Following Lipinski's Rule of Five, ChemDiv1_003327 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_003327?
The CAS number of ChemDiv1_003327 is 5726-44-3.
What is the molecular formula of ChemDiv1_003327?
The molecular formula of ChemDiv1_003327 is C29H30N2O6.
What is the molecular weight of ChemDiv1_003327?
The molecular weight of ChemDiv1_003327 is 502.21 g/mol.
Where can I buy ChemDiv1_003327?
You can request a quote for ChemDiv1_003327 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003327?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003327 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.