3,4-Dihydro-2(1H)-isoquinolineacetyl chloride
TL;DR: 3,4-Dihydro-2(1H)-isoquinolineacetyl chloride (CAS 885955-46-4) is a chemical compound with molecular formula C11H12ClNO and molecular weight 209.06 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)acetyl chloride
Also Known As: 2(1H)-Isoquinolineacetyl chloride, 3,4-dihydro, 2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl Chloride, 3,4-DIHYDRO-2(1H)-ISOQUINOLINEACETYL CHLORIDE
| Molecular Formula | C11H12ClNO |
|---|---|
| Molecular Weight | 209.06 g/mol |
| LogP | 1.8101 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 209.06075 |
| Heavy Atoms | 14 |
| Complexity | 350.8957 |
Chemical Identifiers
| CAS Number | 885955-46-4 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)CC(=O)Cl |
Product Overview
3,4-Dihydro-2(1H)-isoquinolineacetyl chloride (CAS 885955-46-4), with molecular formula C11H12ClNO and molecular weight 209.06 g/mol. IUPAC: 2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl chloride.
Chemical Property Profile of 3,4-Dihydro-2(1H)-isoquinolineacetyl chloride
Property Insights of 3,4-Dihydro-2(1H)-isoquinolineacetyl chloride
The XLogP value of 1.8101 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Dihydro-2(1H)-isoquinolineacetyl chloride. With a topological polar surface area (TPSA) of 20.31 Ų, 3,4-Dihydro-2(1H)-isoquinolineacetyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dihydro-2(1H)-isoquinolineacetyl chloride has 0 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 3,4-Dihydro-2(1H)-isoquinolineacetyl chloride?
The CAS number of 3,4-Dihydro-2(1H)-isoquinolineacetyl chloride is 885955-46-4.
What is the molecular formula of 3,4-Dihydro-2(1H)-isoquinolineacetyl chloride?
The molecular formula of 3,4-Dihydro-2(1H)-isoquinolineacetyl chloride is C11H12ClNO.
What is the molecular weight of 3,4-Dihydro-2(1H)-isoquinolineacetyl chloride?
The molecular weight of 3,4-Dihydro-2(1H)-isoquinolineacetyl chloride is 209.06 g/mol.
Where can I buy 3,4-Dihydro-2(1H)-isoquinolineacetyl chloride?
You can request a quote for 3,4-Dihydro-2(1H)-isoquinolineacetyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dihydro-2(1H)-isoquinolineacetyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dihydro-2(1H)-isoquinolineacetyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.