tetrahydrofuran-2-ylmethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
TL;DR: tetrahydrofuran-2-ylmethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate (CAS 347353-42-8) is a chemical compound with molecular formula C23H24BrNO6 and molecular weight 489.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
oxolan-2-ylmethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: tetrahydrofuran-2-ylmethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, (OXOLAN-2-YL)METHYL 4-(6-BROMO-2H-1,3-BENZODIOXOL-5-YL)-2-METHYL-5-OXO-1,4,5,6,7,8-HEXAHYDROQUINOLINE-3-CARBOXYLATE, (tetrahydrofuran-2-yl)methyl 4-(6-bromobenzo[d][1,3]dioxol-5-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, oxolan-2-ylmethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
| Molecular Formula | C23H24BrNO6 |
|---|---|
| Molecular Weight | 489.08 g/mol |
| LogP | 3.8679 |
| Topological Polar Surface Area | 83.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 489.0787 |
| Heavy Atoms | 31 |
| Complexity | 1007.5642 |
Chemical Identifiers
| CAS Number | 347353-42-8 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CCCC2=O)C3=CC4=C(C=C3Br)OCO4)C(=O)OCC5CCCO5 |
Product Overview
tetrahydrofuran-2-ylmethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate (CAS 347353-42-8), with molecular formula C23H24BrNO6 and molecular weight 489.08 g/mol. IUPAC: oxolan-2-ylmethyl 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 tetrahydrofuran-2-ylmethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Property Insights of tetrahydrofuran-2-ylmethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
The XLogP value of 3.8679 indicates that tetrahydrofuran-2-ylmethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate 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 tetrahydrofuran-2-ylmethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate. Following Lipinski's Rule of Five, tetrahydrofuran-2-ylmethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate 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 tetrahydrofuran-2-ylmethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate?
The CAS number of tetrahydrofuran-2-ylmethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate is 347353-42-8.
What is the molecular formula of tetrahydrofuran-2-ylmethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate?
The molecular formula of tetrahydrofuran-2-ylmethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate is C23H24BrNO6.
What is the molecular weight of tetrahydrofuran-2-ylmethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate?
The molecular weight of tetrahydrofuran-2-ylmethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate is 489.08 g/mol.
Where can I buy tetrahydrofuran-2-ylmethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate?
You can request a quote for tetrahydrofuran-2-ylmethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tetrahydrofuran-2-ylmethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for tetrahydrofuran-2-ylmethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.