ChemDiv1_006514
TL;DR: ChemDiv1_006514 (CAS 347352-03-8) is a chemical compound with molecular formula C23H26BrNO6 and molecular weight 491.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-propan-2-yloxyethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: ChemDiv1_006514, BAS 02841848, A2379/0100610, 2-propan-2-yloxyethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate, 4-(6-Bromo-benzo[1,3]dioxol-5-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-quinoline-3-carboxylic acid 2-isopropoxy-ethyl ester
| Molecular Formula | C23H26BrNO6 |
|---|---|
| Molecular Weight | 491.09 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 491.09436 |
| Heavy Atoms | 31 |
| Complexity | 791.0 |
Chemical Identifiers
| CAS Number | 347352-03-8 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CCCC2=O)C3=CC4=C(C=C3Br)OCO4)C(=O)OCCOC(C)C |
| InChIKey | FGMFUFDEIJVNJL-UHFFFAOYSA-N |
Product Overview
ChemDiv1_006514 (CAS 347352-03-8), with molecular formula C23H26BrNO6 and molecular weight 491.09 g/mol. IUPAC: 2-propan-2-yloxyethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of ChemDiv1_006514
Property Insights of ChemDiv1_006514
The XLogP value of 3.6 indicates that ChemDiv1_006514 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_006514. Following Lipinski's Rule of Five, ChemDiv1_006514 has 1 hydrogen bond donor(s) and 7 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_006514?
The CAS number of ChemDiv1_006514 is 347352-03-8.
What is the molecular formula of ChemDiv1_006514?
The molecular formula of ChemDiv1_006514 is C23H26BrNO6.
What is the molecular weight of ChemDiv1_006514?
The molecular weight of ChemDiv1_006514 is 491.09 g/mol.
Where can I buy ChemDiv1_006514?
You can request a quote for ChemDiv1_006514 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_006514?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_006514 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.