![4-(Chloromethyl)-2,2-dimethyl-1,2-dihydrobenzo[f]isoquinoline structure](/static/products/2174/217480-50-7.webp)
4-(Chloromethyl)-2,2-dimethyl-1,2-dihydrobenzo[f]isoquinoline
TL;DR: 4-(Chloromethyl)-2,2-dimethyl-1,2-dihydrobenzo[f]isoquinoline (CAS 217480-50-7) is a chemical compound with molecular formula C16H16ClN and molecular weight 257.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(chloromethyl)-2,2-dimethyl-1H-benzo[f]isoquinoline
Also Known As: 4-(chloromethyl)-2,2-dimethyl-1,2-dihydrobenzo[f]isoquinoline, 4-(chloromethyl)-2,2-dimethyl-1H-benzo[f]isoquinoline, BAS 00329584, Benz[f]isoquinoline, 4-(chloromethyl)-1,2-dihydro-2,2-dimethyl-, 4-Chloromethyl-2,2-dimethyl-1,2-dihydro-benzo[f]isoquinoline
| Molecular Formula | C16H16ClN |
|---|---|
| Molecular Weight | 257.10 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 12.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 257.09714 |
| Heavy Atoms | 18 |
| Complexity | 347.0 |
Chemical Identifiers
| CAS Number | 217480-50-7 |
|---|---|
| SMILES | CC1(CC2=C(C=CC3=CC=CC=C23)C(=N1)CCl)C |
| InChIKey | MIONPLXIIXIDQD-UHFFFAOYSA-N |
Product Overview
4-(Chloromethyl)-2,2-dimethyl-1,2-dihydrobenzo[f]isoquinoline (CAS 217480-50-7), with molecular formula C16H16ClN and molecular weight 257.10 g/mol. IUPAC: 4-(chloromethyl)-2,2-dimethyl-1H-benzo[f]isoquinoline.
Chemical Property Profile of 4-(Chloromethyl)-2,2-dimethyl-1,2-dihydrobenzo[f]isoquinoline
Property Insights of 4-(Chloromethyl)-2,2-dimethyl-1,2-dihydrobenzo[f]isoquinoline
The XLogP value of 4.1 indicates that 4-(Chloromethyl)-2,2-dimethyl-1,2-dihydrobenzo[f]isoquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.4 Ų, 4-(Chloromethyl)-2,2-dimethyl-1,2-dihydrobenzo[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-dihydrobenzo[f]isoquinoline has 0 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-dihydrobenzo[f]isoquinoline?
The CAS number of 4-(Chloromethyl)-2,2-dimethyl-1,2-dihydrobenzo[f]isoquinoline is 217480-50-7.
What is the molecular formula of 4-(Chloromethyl)-2,2-dimethyl-1,2-dihydrobenzo[f]isoquinoline?
The molecular formula of 4-(Chloromethyl)-2,2-dimethyl-1,2-dihydrobenzo[f]isoquinoline is C16H16ClN.
What is the molecular weight of 4-(Chloromethyl)-2,2-dimethyl-1,2-dihydrobenzo[f]isoquinoline?
The molecular weight of 4-(Chloromethyl)-2,2-dimethyl-1,2-dihydrobenzo[f]isoquinoline is 257.10 g/mol.
Where can I buy 4-(Chloromethyl)-2,2-dimethyl-1,2-dihydrobenzo[f]isoquinoline?
You can request a quote for 4-(Chloromethyl)-2,2-dimethyl-1,2-dihydrobenzo[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-dihydrobenzo[f]isoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 4-(Chloromethyl)-2,2-dimethyl-1,2-dihydrobenzo[f]isoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.