ChemDiv3_014822
TL;DR: ChemDiv3_014822 (CAS 774562-61-7) is a chemical compound with molecular formula C20H23ClN2O5 and molecular weight 406.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chloro-2,5-dimethoxyphenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-4-carboxamide
Also Known As: ChemDiv3_014822, BAS 11216079, N-(4-chloro-2,5-dimethoxyphenyl)-7,7-dimethyl-2,5-dioxo-1,2,3,4,5,6,7,8-octahydroquinoline-4-carboxamide, (7,7-dimethyl-2,5-dioxo(4-1,3,4,6,7,8-hexahydroquinolyl))-N-(4-chloro-2,5-dime thoxyphenyl)carboxamide, N-(4-chloro-2,5-dimethoxyphenyl)-5-hydroxy-7,7-dimethyl-2-oxo-2,3,4,6,7,8-hexahydroquinoline-4-carboxamide
| Molecular Formula | C20H23ClN2O5 |
|---|---|
| Molecular Weight | 406.13 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 93.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 406.12955 |
| Heavy Atoms | 28 |
| Complexity | 705.0 |
Chemical Identifiers
| CAS Number | 774562-61-7 |
|---|---|
| SMILES | CC1(CC2=C(C(CC(=O)N2)C(=O)NC3=CC(=C(C=C3OC)Cl)OC)C(=O)C1)C |
| InChIKey | IPAHKONPBMELQU-UHFFFAOYSA-N |
Product Overview
ChemDiv3_014822 (CAS 774562-61-7), with molecular formula C20H23ClN2O5 and molecular weight 406.13 g/mol. IUPAC: N-(4-chloro-2,5-dimethoxyphenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-4-carboxamide.
Chemical Property Profile of ChemDiv3_014822
Property Insights of ChemDiv3_014822
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_014822. The TPSA of 93.7 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_014822. Following Lipinski's Rule of Five, ChemDiv3_014822 has 2 hydrogen bond donor(s) and 5 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 ChemDiv3_014822?
The CAS number of ChemDiv3_014822 is 774562-61-7.
What is the molecular formula of ChemDiv3_014822?
The molecular formula of ChemDiv3_014822 is C20H23ClN2O5.
What is the molecular weight of ChemDiv3_014822?
The molecular weight of ChemDiv3_014822 is 406.13 g/mol.
Where can I buy ChemDiv3_014822?
You can request a quote for ChemDiv3_014822 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_014822?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_014822 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.