![4-(Chloromethyl)-2,2-dimethyl-1,2,3,4-tetrahydrobenzo[f]isoquinoline structure](/static/products/4763/476333-33-2.webp)
4-(Chloromethyl)-2,2-dimethyl-1,2,3,4-tetrahydrobenzo[f]isoquinoline
TL;DR: 4-(Chloromethyl)-2,2-dimethyl-1,2,3,4-tetrahydrobenzo[f]isoquinoline (CAS 476333-33-2) is a chemical compound with molecular formula C16H18ClN and molecular weight 259.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(chloromethyl)-2,2-dimethyl-3,4-dihydro-1H-benzo[f]isoquinoline
Also Known As: ZERO/001693, 4-(Chloromethyl)-2,2-dimethyl-1,2,3,4-tetrahydrobenzo[f]isoquinoline, 4-(chloromethyl)-2,2-dimethyl-3,4-dihydro-1H-benzo[f]isoquinoline, 4-(chloromethyl)-2,2-dimethyl-1,2,3,4-tetrahydrobenzo[{f}]isoquinoline, 4-chloromethyl-2,2-dimethyl-1,2,3,4-tetrahydrobenzo[f]isoquinoline
| Molecular Formula | C16H18ClN |
|---|---|
| Molecular Weight | 259.11 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 259.11276 |
| Heavy Atoms | 18 |
| Complexity | 301.0 |
Chemical Identifiers
| CAS Number | 476333-33-2 |
|---|---|
| SMILES | CC1(CC2=C(C=CC3=CC=CC=C23)C(N1)CCl)C |
| InChIKey | BWCZXBBFZYYUIZ-UHFFFAOYSA-N |
Product Overview
4-(Chloromethyl)-2,2-dimethyl-1,2,3,4-tetrahydrobenzo[f]isoquinoline (CAS 476333-33-2), with molecular formula C16H18ClN and molecular weight 259.11 g/mol. IUPAC: 4-(chloromethyl)-2,2-dimethyl-3,4-dihydro-1H-benzo[f]isoquinoline.
Chemical Property Profile of 4-(Chloromethyl)-2,2-dimethyl-1,2,3,4-tetrahydrobenzo[f]isoquinoline
Property Insights of 4-(Chloromethyl)-2,2-dimethyl-1,2,3,4-tetrahydrobenzo[f]isoquinoline
The XLogP value of 3.8 indicates that 4-(Chloromethyl)-2,2-dimethyl-1,2,3,4-tetrahydrobenzo[f]isoquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.0 Ų, 4-(Chloromethyl)-2,2-dimethyl-1,2,3,4-tetrahydrobenzo[f]isoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Chloromethyl)-2,2-dimethyl-1,2,3,4-tetrahydrobenzo[f]isoquinoline has 1 hydrogen bond donor(s) and 1 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 4-(Chloromethyl)-2,2-dimethyl-1,2,3,4-tetrahydrobenzo[f]isoquinoline?
The CAS number of 4-(Chloromethyl)-2,2-dimethyl-1,2,3,4-tetrahydrobenzo[f]isoquinoline is 476333-33-2.
What is the molecular formula of 4-(Chloromethyl)-2,2-dimethyl-1,2,3,4-tetrahydrobenzo[f]isoquinoline?
The molecular formula of 4-(Chloromethyl)-2,2-dimethyl-1,2,3,4-tetrahydrobenzo[f]isoquinoline is C16H18ClN.
What is the molecular weight of 4-(Chloromethyl)-2,2-dimethyl-1,2,3,4-tetrahydrobenzo[f]isoquinoline?
The molecular weight of 4-(Chloromethyl)-2,2-dimethyl-1,2,3,4-tetrahydrobenzo[f]isoquinoline is 259.11 g/mol.
Where can I buy 4-(Chloromethyl)-2,2-dimethyl-1,2,3,4-tetrahydrobenzo[f]isoquinoline?
You can request a quote for 4-(Chloromethyl)-2,2-dimethyl-1,2,3,4-tetrahydrobenzo[f]isoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Chloromethyl)-2,2-dimethyl-1,2,3,4-tetrahydrobenzo[f]isoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 4-(Chloromethyl)-2,2-dimethyl-1,2,3,4-tetrahydrobenzo[f]isoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.