ChemDiv1_001782
TL;DR: ChemDiv1_001782 (CAS 313244-66-5) is a chemical compound with molecular formula C24H30BrNO5 and molecular weight 491.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentyl 4-(2-bromo-4,5-dimethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: ChemDiv1_001782, BAS 00915316, pentyl 4-(2-bromo-4,5-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate, pentyl 4-(2-bromo-4,5-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, pentyl 4-(2-bromo-4,5-dimethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
| Molecular Formula | C24H30BrNO5 |
|---|---|
| Molecular Weight | 491.13 g/mol |
| LogP | 5.1676 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 491.13074 |
| Heavy Atoms | 31 |
| Complexity | 934.1425 |
Chemical Identifiers
| CAS Number | 313244-66-5 |
|---|---|
| SMILES | CCCCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3Br)OC)OC)C(=O)CCC2)C |
Product Overview
ChemDiv1_001782 (CAS 313244-66-5), with molecular formula C24H30BrNO5 and molecular weight 491.13 g/mol. IUPAC: pentyl 4-(2-bromo-4,5-dimethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of ChemDiv1_001782
Property Insights of ChemDiv1_001782
The XLogP value of 5.1676 indicates that ChemDiv1_001782 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.86 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_001782. Following Lipinski's Rule of Five, ChemDiv1_001782 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 ChemDiv1_001782?
The CAS number of ChemDiv1_001782 is 313244-66-5.
What is the molecular formula of ChemDiv1_001782?
The molecular formula of ChemDiv1_001782 is C24H30BrNO5.
What is the molecular weight of ChemDiv1_001782?
The molecular weight of ChemDiv1_001782 is 491.13 g/mol.
Where can I buy ChemDiv1_001782?
You can request a quote for ChemDiv1_001782 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_001782?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_001782 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.