ChemDiv1_002394
TL;DR: ChemDiv1_002394 (CAS 329072-48-2) is a chemical compound with molecular formula C28H29BrClNO6 and molecular weight 589.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxyethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: ChemDiv1_002394, BAS 01051931, 2-methoxyethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, 2-methoxyethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate, 2-methoxyethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
| Molecular Formula | C28H29BrClNO6 |
|---|---|
| Molecular Weight | 589.09 g/mol |
| LogP | 5.758 |
| Topological Polar Surface Area | 94.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 589.0867 |
| Heavy Atoms | 37 |
| Complexity | 1270.1786 |
Chemical Identifiers
| CAS Number | 329072-48-2 |
|---|---|
| SMILES | CCOC1=C(C(=CC(=C1)C2C3=C(CC(CC3=O)C4=CC=C(C=C4)Cl)NC(=C2C(=O)OCCOC)C)Br)O |
Product Overview
ChemDiv1_002394 (CAS 329072-48-2), with molecular formula C28H29BrClNO6 and molecular weight 589.09 g/mol. IUPAC: 2-methoxyethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of ChemDiv1_002394
Property Insights of ChemDiv1_002394
The XLogP value of 5.758 indicates that ChemDiv1_002394 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.09 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_002394. Following Lipinski's Rule of Five, ChemDiv1_002394 has 2 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_002394?
The CAS number of ChemDiv1_002394 is 329072-48-2.
What is the molecular formula of ChemDiv1_002394?
The molecular formula of ChemDiv1_002394 is C28H29BrClNO6.
What is the molecular weight of ChemDiv1_002394?
The molecular weight of ChemDiv1_002394 is 589.09 g/mol.
Where can I buy ChemDiv1_002394?
You can request a quote for ChemDiv1_002394 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002394?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002394 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.