ChemDiv1_002547
TL;DR: ChemDiv1_002547 (CAS 330551-48-9) is a chemical compound with molecular formula C27H26BrNO5 and molecular weight 523.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 4-(6-bromo-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: ChemDiv1_002547, BAS 01404020, propyl 4-(6-bromo-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate, A2040/0085717, propyl 4-(6-bromo-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
| Molecular Formula | C27H26BrNO5 |
|---|---|
| Molecular Weight | 523.10 g/mol |
| LogP | 5.4926 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 523.0994 |
| Heavy Atoms | 34 |
| Complexity | 1217.0262 |
Chemical Identifiers
| CAS Number | 330551-48-9 |
|---|---|
| SMILES | CCCOC(=O)C1=C(NC2=C(C1C3=CC4=C(C=C3Br)OCO4)C(=O)CC(C2)C5=CC=CC=C5)C |
Product Overview
ChemDiv1_002547 (CAS 330551-48-9), with molecular formula C27H26BrNO5 and molecular weight 523.10 g/mol. IUPAC: propyl 4-(6-bromo-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of ChemDiv1_002547
Property Insights of ChemDiv1_002547
The XLogP value of 5.4926 indicates that ChemDiv1_002547 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_002547. Following Lipinski's Rule of Five, ChemDiv1_002547 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_002547?
The CAS number of ChemDiv1_002547 is 330551-48-9.
What is the molecular formula of ChemDiv1_002547?
The molecular formula of ChemDiv1_002547 is C27H26BrNO5.
What is the molecular weight of ChemDiv1_002547?
The molecular weight of ChemDiv1_002547 is 523.10 g/mol.
Where can I buy ChemDiv1_002547?
You can request a quote for ChemDiv1_002547 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002547?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002547 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.