2-Benzyl-4,4-difluoro-1,2,3,4-tetrahydroisoquinoline
TL;DR: 2-Benzyl-4,4-difluoro-1,2,3,4-tetrahydroisoquinoline (CAS 537033-80-0) is a chemical compound with molecular formula C16H15F2N and molecular weight 259.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzyl-4,4-difluoro-1,3-dihydroisoquinoline
Also Known As: 2-Benzyl-4,4-difluoro-1,2,3,4-tetrahydroisoquinoline, 2-benzyl-4,4-difluoro-1,3-dihydroisoquinoline, 4,4-difluoro-2-benzyl-1,2,3,4-tetrahydroisoquinoline, Isoquinoline, 4,4-difluoro-1,2,3,4-tetrahydro-2-(phenylmethyl)-, 4,4-Difluoro-1,2,3,4-tetrahydro-2-(phenylmethyl)isoquinoline
| Molecular Formula | C16H15F2N |
|---|---|
| Molecular Weight | 259.12 g/mol |
| LogP | 3.7942 |
| Topological Polar Surface Area | 3.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 259.11725 |
| Heavy Atoms | 19 |
| Complexity | 565.97144 |
Chemical Identifiers
| CAS Number | 537033-80-0 |
|---|---|
| SMILES | C1C2=CC=CC=C2C(CN1CC3=CC=CC=C3)(F)F |
Product Overview
2-Benzyl-4,4-difluoro-1,2,3,4-tetrahydroisoquinoline (CAS 537033-80-0), with molecular formula C16H15F2N and molecular weight 259.12 g/mol. IUPAC: 2-benzyl-4,4-difluoro-1,3-dihydroisoquinoline.
Chemical Property Profile of 2-Benzyl-4,4-difluoro-1,2,3,4-tetrahydroisoquinoline
Property Insights of 2-Benzyl-4,4-difluoro-1,2,3,4-tetrahydroisoquinoline
The XLogP value of 3.7942 indicates that 2-Benzyl-4,4-difluoro-1,2,3,4-tetrahydroisoquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.24 Ų, 2-Benzyl-4,4-difluoro-1,2,3,4-tetrahydroisoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzyl-4,4-difluoro-1,2,3,4-tetrahydroisoquinoline 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 2-Benzyl-4,4-difluoro-1,2,3,4-tetrahydroisoquinoline?
The CAS number of 2-Benzyl-4,4-difluoro-1,2,3,4-tetrahydroisoquinoline is 537033-80-0.
What is the molecular formula of 2-Benzyl-4,4-difluoro-1,2,3,4-tetrahydroisoquinoline?
The molecular formula of 2-Benzyl-4,4-difluoro-1,2,3,4-tetrahydroisoquinoline is C16H15F2N.
What is the molecular weight of 2-Benzyl-4,4-difluoro-1,2,3,4-tetrahydroisoquinoline?
The molecular weight of 2-Benzyl-4,4-difluoro-1,2,3,4-tetrahydroisoquinoline is 259.12 g/mol.
Where can I buy 2-Benzyl-4,4-difluoro-1,2,3,4-tetrahydroisoquinoline?
You can request a quote for 2-Benzyl-4,4-difluoro-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-Benzyl-4,4-difluoro-1,2,3,4-tetrahydroisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzyl-4,4-difluoro-1,2,3,4-tetrahydroisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.