3-(1,3-benzodioxol-5-yl)-2-(3-chloropropyl)-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinecarboxylic acid
TL;DR: 3-(1,3-benzodioxol-5-yl)-2-(3-chloropropyl)-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinecarboxylic acid (CAS 385383-35-7) is a chemical compound with molecular formula C20H18ClNO5 and molecular weight 387.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzodioxol-5-yl)-2-(3-chloropropyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid
Also Known As: 3-(1,3-benzodioxol-5-yl)-2-(3-chloropropyl)-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinecarboxylic acid, 11R-0265, 3-(1,3-benzodioxol-5-yl)-2-(3-chloropropyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid, 3-(1,3-benzodioxol-5-yl)-2-(3-chloropropyl)-1- oxo-1,2,3,4-tetrahydro-4-isoquinoline carboxylic acid, 3-(2H-1,3-benzodioxol-5-yl)-2-(3-chloropropyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid
| Molecular Formula | C20H18ClNO5 |
|---|---|
| Molecular Weight | 387.09 g/mol |
| LogP | 3.4095 |
| Topological Polar Surface Area | 76.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 387.08734 |
| Heavy Atoms | 27 |
| Complexity | 899.69086 |
Chemical Identifiers
| CAS Number | 385383-35-7 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C3C(C4=CC=CC=C4C(=O)N3CCCCl)C(=O)O |
Product Overview
3-(1,3-benzodioxol-5-yl)-2-(3-chloropropyl)-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinecarboxylic acid (CAS 385383-35-7), with molecular formula C20H18ClNO5 and molecular weight 387.09 g/mol. IUPAC: 3-(1,3-benzodioxol-5-yl)-2-(3-chloropropyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid.
Chemical Property Profile of 3-(1,3-benzodioxol-5-yl)-2-(3-chloropropyl)-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinecarboxylic acid
Property Insights of 3-(1,3-benzodioxol-5-yl)-2-(3-chloropropyl)-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinecarboxylic acid
The XLogP value of 3.4095 indicates that 3-(1,3-benzodioxol-5-yl)-2-(3-chloropropyl)-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinecarboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1,3-benzodioxol-5-yl)-2-(3-chloropropyl)-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinecarboxylic acid. Following Lipinski's Rule of Five, 3-(1,3-benzodioxol-5-yl)-2-(3-chloropropyl)-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinecarboxylic acid has 1 hydrogen bond donor(s) and 4 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 3-(1,3-benzodioxol-5-yl)-2-(3-chloropropyl)-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinecarboxylic acid?
The CAS number of 3-(1,3-benzodioxol-5-yl)-2-(3-chloropropyl)-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinecarboxylic acid is 385383-35-7.
What is the molecular formula of 3-(1,3-benzodioxol-5-yl)-2-(3-chloropropyl)-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinecarboxylic acid?
The molecular formula of 3-(1,3-benzodioxol-5-yl)-2-(3-chloropropyl)-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinecarboxylic acid is C20H18ClNO5.
What is the molecular weight of 3-(1,3-benzodioxol-5-yl)-2-(3-chloropropyl)-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinecarboxylic acid?
The molecular weight of 3-(1,3-benzodioxol-5-yl)-2-(3-chloropropyl)-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinecarboxylic acid is 387.09 g/mol.
Where can I buy 3-(1,3-benzodioxol-5-yl)-2-(3-chloropropyl)-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinecarboxylic acid?
You can request a quote for 3-(1,3-benzodioxol-5-yl)-2-(3-chloropropyl)-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1,3-benzodioxol-5-yl)-2-(3-chloropropyl)-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3-benzodioxol-5-yl)-2-(3-chloropropyl)-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.