2-(Chloroacetyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
TL;DR: 2-(Chloroacetyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline (CAS 111631-72-2) is a chemical compound with molecular formula C13H16ClNO3 and molecular weight 269.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
Also Known As: 2-(chloroacetyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline, 2-chloro-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethanone, 2-chloro-1-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-one, 2-chloro-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone, UPCMLD0ENAT5441911:001
| Molecular Formula | C13H16ClNO3 |
|---|---|
| Molecular Weight | 269.08 g/mol |
| LogP | 1.8273 |
| Topological Polar Surface Area | 38.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 269.08188 |
| Heavy Atoms | 18 |
| Complexity | 461.79474 |
Chemical Identifiers
| CAS Number | 111631-72-2 |
|---|---|
| SMILES | COC1=C(C=C2CN(CCC2=C1)C(=O)CCl)OC |
Product Overview
2-(Chloroacetyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline (CAS 111631-72-2), with molecular formula C13H16ClNO3 and molecular weight 269.08 g/mol. IUPAC: 2-chloro-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone.
Chemical Property Profile of 2-(Chloroacetyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
Property Insights of 2-(Chloroacetyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
The XLogP value of 1.8273 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Chloroacetyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline. With a topological polar surface area (TPSA) of 38.77 Ų, 2-(Chloroacetyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Chloroacetyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline has 0 hydrogen bond donor(s) and 3 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-(Chloroacetyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline?
The CAS number of 2-(Chloroacetyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline is 111631-72-2.
What is the molecular formula of 2-(Chloroacetyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline?
The molecular formula of 2-(Chloroacetyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline is C13H16ClNO3.
What is the molecular weight of 2-(Chloroacetyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline?
The molecular weight of 2-(Chloroacetyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline is 269.08 g/mol.
Where can I buy 2-(Chloroacetyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline?
You can request a quote for 2-(Chloroacetyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Chloroacetyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 2-(Chloroacetyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.