2(1H)-Isoquinolineacetic acid, 3,4-dihydro-, hydrochloride
TL;DR: 2(1H)-Isoquinolineacetic acid, 3,4-dihydro-, hydrochloride (CAS 200064-94-4) is a chemical compound with molecular formula C11H14ClNO2 and molecular weight 227.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4-dihydro-1H-isoquinolin-2-yl)acetic acid;hydrochloride
Also Known As: 2-(3,4-DIHYDROISOQUINOLIN-2(1H)-YL)ACETIC ACID HYDROCHLORIDE, (1,2,3,4-Tetrahydro-2-isoquinolyl)acetic acid hydrochloride, 3,4-Dihydro-2(1H)-isoquinolineacetic acid hydrochloride, 2(1H)-Isoquinolineacetic acid, 3,4-dihydro-, hydrochloride, 2-(3,4-dihydro-1H-isoquinolin-2-yl)acetic acid;hydrochloride
| Molecular Formula | C11H14ClNO2 |
|---|---|
| Molecular Weight | 227.07 g/mol |
| LogP | 1.5511 |
| Topological Polar Surface Area | 40.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 227.0713 |
| Heavy Atoms | 15 |
| Complexity | 354.19608 |
Chemical Identifiers
| CAS Number | 200064-94-4 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)CC(=O)O.Cl |
Product Overview
2(1H)-Isoquinolineacetic acid, 3,4-dihydro-, hydrochloride (CAS 200064-94-4), with molecular formula C11H14ClNO2 and molecular weight 227.07 g/mol. IUPAC: 2-(3,4-dihydro-1H-isoquinolin-2-yl)acetic acid;hydrochloride.
Chemical Property Profile of 2(1H)-Isoquinolineacetic acid, 3,4-dihydro-, hydrochloride
Property Insights of 2(1H)-Isoquinolineacetic acid, 3,4-dihydro-, hydrochloride
The XLogP value of 1.5511 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2(1H)-Isoquinolineacetic acid, 3,4-dihydro-, hydrochloride. With a topological polar surface area (TPSA) of 40.54 Ų, 2(1H)-Isoquinolineacetic acid, 3,4-dihydro-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2(1H)-Isoquinolineacetic acid, 3,4-dihydro-, hydrochloride has 1 hydrogen bond donor(s) and 2 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(1H)-Isoquinolineacetic acid, 3,4-dihydro-, hydrochloride?
The CAS number of 2(1H)-Isoquinolineacetic acid, 3,4-dihydro-, hydrochloride is 200064-94-4.
What is the molecular formula of 2(1H)-Isoquinolineacetic acid, 3,4-dihydro-, hydrochloride?
The molecular formula of 2(1H)-Isoquinolineacetic acid, 3,4-dihydro-, hydrochloride is C11H14ClNO2.
What is the molecular weight of 2(1H)-Isoquinolineacetic acid, 3,4-dihydro-, hydrochloride?
The molecular weight of 2(1H)-Isoquinolineacetic acid, 3,4-dihydro-, hydrochloride is 227.07 g/mol.
Where can I buy 2(1H)-Isoquinolineacetic acid, 3,4-dihydro-, hydrochloride?
You can request a quote for 2(1H)-Isoquinolineacetic acid, 3,4-dihydro-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2(1H)-Isoquinolineacetic acid, 3,4-dihydro-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2(1H)-Isoquinolineacetic acid, 3,4-dihydro-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.