ChemDiv1_008220
TL;DR: ChemDiv1_008220 (CAS 347328-77-2) is a chemical compound with molecular formula C25H30BrNO6 and molecular weight 519.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-propoxyethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: ChemDiv1_008220, DivK1c_002860, CDS1_001820, A2558/0108944, 2-propoxyethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
| Molecular Formula | C25H30BrNO6 |
|---|---|
| Molecular Weight | 519.13 g/mol |
| LogP | 4.7516 |
| Topological Polar Surface Area | 83.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 519.1257 |
| Heavy Atoms | 33 |
| Complexity | 1041.5779 |
Chemical Identifiers
| CAS Number | 347328-77-2 |
|---|---|
| SMILES | CCCOCCOC(=O)C1=C(NC2=C(C1C3=CC4=C(C=C3Br)OCO4)C(=O)CC(C2)(C)C)C |
Product Overview
ChemDiv1_008220 (CAS 347328-77-2), with molecular formula C25H30BrNO6 and molecular weight 519.13 g/mol. IUPAC: 2-propoxyethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate.
Chemical Property Profile of ChemDiv1_008220
Property Insights of ChemDiv1_008220
The XLogP value of 4.7516 indicates that ChemDiv1_008220 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.09 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_008220. Following Lipinski's Rule of Five, ChemDiv1_008220 has 1 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_008220?
The CAS number of ChemDiv1_008220 is 347328-77-2.
What is the molecular formula of ChemDiv1_008220?
The molecular formula of ChemDiv1_008220 is C25H30BrNO6.
What is the molecular weight of ChemDiv1_008220?
The molecular weight of ChemDiv1_008220 is 519.13 g/mol.
Where can I buy ChemDiv1_008220?
You can request a quote for ChemDiv1_008220 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_008220?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_008220 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.