ChemDiv1_011961
TL;DR: ChemDiv1_011961 (CAS 299918-64-2) is a chemical compound with molecular formula C28H31NO7 and molecular weight 493.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methoxyphenyl)methyl 2-methyl-5-oxo-4-(2,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: ChemDiv1_011961, BAS 01404129, 4-methoxybenzyl 2-methyl-5-oxo-4-(2,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate, A2133/0089586, (4-methoxyphenyl)methyl 2-methyl-5-oxo-4-(2,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
| Molecular Formula | C28H31NO7 |
|---|---|
| Molecular Weight | 493.21 g/mol |
| LogP | 4.4323 |
| Topological Polar Surface Area | 92.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 493.21005 |
| Heavy Atoms | 36 |
| Complexity | 1227.2045 |
Chemical Identifiers
| CAS Number | 299918-64-2 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=C(C=C3OC)OC)OC)C(=O)OCC4=CC=C(C=C4)OC |
Product Overview
ChemDiv1_011961 (CAS 299918-64-2), with molecular formula C28H31NO7 and molecular weight 493.21 g/mol. IUPAC: (4-methoxyphenyl)methyl 2-methyl-5-oxo-4-(2,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of ChemDiv1_011961
Property Insights of ChemDiv1_011961
The XLogP value of 4.4323 indicates that ChemDiv1_011961 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.32 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_011961. Following Lipinski's Rule of Five, ChemDiv1_011961 has 1 hydrogen bond donor(s) and 8 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_011961?
The CAS number of ChemDiv1_011961 is 299918-64-2.
What is the molecular formula of ChemDiv1_011961?
The molecular formula of ChemDiv1_011961 is C28H31NO7.
What is the molecular weight of ChemDiv1_011961?
The molecular weight of ChemDiv1_011961 is 493.21 g/mol.
Where can I buy ChemDiv1_011961?
You can request a quote for ChemDiv1_011961 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_011961?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_011961 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.