ChemDiv1_002218
TL;DR: ChemDiv1_002218 (CAS 329072-37-9) is a chemical compound with molecular formula C28H31ClN2O4 and molecular weight 494.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxyethyl 7-(4-chlorophenyl)-4-[4-(dimethylamino)phenyl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: ChemDiv1_002218, BAS 01051917, AB00094406-01, 2-methoxyethyl 7-(4-chlorophenyl)-4-[4-(dimethylamino)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, 2-methoxyethyl 4-[4-(dimethylamino)phenyl]-7-(4-chlorophenyl)-2-methyl-5-oxo-1 ,4,6,7,8-pentahydroquinoline-3-carboxylate
| Molecular Formula | C28H31ClN2O4 |
|---|---|
| Molecular Weight | 494.20 g/mol |
| LogP | 4.9572 |
| Topological Polar Surface Area | 67.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 494.19724 |
| Heavy Atoms | 35 |
| Complexity | 1166.4484 |
Chemical Identifiers
| CAS Number | 329072-37-9 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)N(C)C)C(=O)OCCOC |
Product Overview
ChemDiv1_002218 (CAS 329072-37-9), with molecular formula C28H31ClN2O4 and molecular weight 494.20 g/mol. IUPAC: 2-methoxyethyl 7-(4-chlorophenyl)-4-[4-(dimethylamino)phenyl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of ChemDiv1_002218
Property Insights of ChemDiv1_002218
The XLogP value of 4.9572 indicates that ChemDiv1_002218 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.87 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_002218. Following Lipinski's Rule of Five, ChemDiv1_002218 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_002218?
The CAS number of ChemDiv1_002218 is 329072-37-9.
What is the molecular formula of ChemDiv1_002218?
The molecular formula of ChemDiv1_002218 is C28H31ClN2O4.
What is the molecular weight of ChemDiv1_002218?
The molecular weight of ChemDiv1_002218 is 494.20 g/mol.
Where can I buy ChemDiv1_002218?
You can request a quote for ChemDiv1_002218 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002218?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002218 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.