2-(3-Chloropropyl)-3-(3,4-dimethoxyphenyl)-1,2,3,4,4a,8a-hexahydro-1-oxo-4-isoquinolinecarboxylic acid
TL;DR: 2-(3-Chloropropyl)-3-(3,4-dimethoxyphenyl)-1,2,3,4,4a,8a-hexahydro-1-oxo-4-isoquinolinecarboxylic acid (CAS 446276-18-2) is a chemical compound with molecular formula C21H24ClNO5 and molecular weight 405.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-chloropropyl)-3-(3,4-dimethoxyphenyl)-1-oxo-3,4,4a,8a-tetrahydroisoquinoline-4-carboxylic acid
Also Known As: 2-(3-Chloropropyl)-3-(3,4-dimethoxyphenyl)-1,2,3,4,4a,8a-hexahydro-1-oxo-4-isoquinolinecarboxylic acid, 2-(3-Chloropropyl)-3-(3,4-dimethoxyphenyl)-1-oxo-1,2,3,4,4a,8a-hexahydroisoquinoline-4-carboxylic acid, 2-(3-chloropropyl)-3-(3,4-dimethoxyphenyl)-1-oxo-3,4,4a,8a-tetrahydroisoquinoline-4-carboxylic acid
| Molecular Formula | C21H24ClNO5 |
|---|---|
| Molecular Weight | 405.13 g/mol |
| LogP | 3.2752 |
| Topological Polar Surface Area | 76.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 405.1343 |
| Heavy Atoms | 28 |
| Complexity | 805.9857 |
Chemical Identifiers
| CAS Number | 446276-18-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2C(C3C=CC=CC3C(=O)N2CCCCl)C(=O)O)OC |
Product Overview
2-(3-Chloropropyl)-3-(3,4-dimethoxyphenyl)-1,2,3,4,4a,8a-hexahydro-1-oxo-4-isoquinolinecarboxylic acid (CAS 446276-18-2), with molecular formula C21H24ClNO5 and molecular weight 405.13 g/mol. IUPAC: 2-(3-chloropropyl)-3-(3,4-dimethoxyphenyl)-1-oxo-3,4,4a,8a-tetrahydroisoquinoline-4-carboxylic acid.
Chemical Property Profile of 2-(3-Chloropropyl)-3-(3,4-dimethoxyphenyl)-1,2,3,4,4a,8a-hexahydro-1-oxo-4-isoquinolinecarboxylic acid
Property Insights of 2-(3-Chloropropyl)-3-(3,4-dimethoxyphenyl)-1,2,3,4,4a,8a-hexahydro-1-oxo-4-isoquinolinecarboxylic acid
The XLogP value of 3.2752 indicates that 2-(3-Chloropropyl)-3-(3,4-dimethoxyphenyl)-1,2,3,4,4a,8a-hexahydro-1-oxo-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 2-(3-Chloropropyl)-3-(3,4-dimethoxyphenyl)-1,2,3,4,4a,8a-hexahydro-1-oxo-4-isoquinolinecarboxylic acid. Following Lipinski's Rule of Five, 2-(3-Chloropropyl)-3-(3,4-dimethoxyphenyl)-1,2,3,4,4a,8a-hexahydro-1-oxo-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 2-(3-Chloropropyl)-3-(3,4-dimethoxyphenyl)-1,2,3,4,4a,8a-hexahydro-1-oxo-4-isoquinolinecarboxylic acid?
The CAS number of 2-(3-Chloropropyl)-3-(3,4-dimethoxyphenyl)-1,2,3,4,4a,8a-hexahydro-1-oxo-4-isoquinolinecarboxylic acid is 446276-18-2.
What is the molecular formula of 2-(3-Chloropropyl)-3-(3,4-dimethoxyphenyl)-1,2,3,4,4a,8a-hexahydro-1-oxo-4-isoquinolinecarboxylic acid?
The molecular formula of 2-(3-Chloropropyl)-3-(3,4-dimethoxyphenyl)-1,2,3,4,4a,8a-hexahydro-1-oxo-4-isoquinolinecarboxylic acid is C21H24ClNO5.
What is the molecular weight of 2-(3-Chloropropyl)-3-(3,4-dimethoxyphenyl)-1,2,3,4,4a,8a-hexahydro-1-oxo-4-isoquinolinecarboxylic acid?
The molecular weight of 2-(3-Chloropropyl)-3-(3,4-dimethoxyphenyl)-1,2,3,4,4a,8a-hexahydro-1-oxo-4-isoquinolinecarboxylic acid is 405.13 g/mol.
Where can I buy 2-(3-Chloropropyl)-3-(3,4-dimethoxyphenyl)-1,2,3,4,4a,8a-hexahydro-1-oxo-4-isoquinolinecarboxylic acid?
You can request a quote for 2-(3-Chloropropyl)-3-(3,4-dimethoxyphenyl)-1,2,3,4,4a,8a-hexahydro-1-oxo-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 2-(3-Chloropropyl)-3-(3,4-dimethoxyphenyl)-1,2,3,4,4a,8a-hexahydro-1-oxo-4-isoquinolinecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Chloropropyl)-3-(3,4-dimethoxyphenyl)-1,2,3,4,4a,8a-hexahydro-1-oxo-4-isoquinolinecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.