4-(3,5-difluorophenyl)-2,7-dimethyl-3,4-dihydro-1H-isoquinoline
TL;DR: 4-(3,5-difluorophenyl)-2,7-dimethyl-3,4-dihydro-1H-isoquinoline (CAS 339000-80-5) is a chemical compound with molecular formula C17H17F2N and molecular weight 273.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3,5-difluorophenyl)-2,7-dimethyl-3,4-dihydro-1H-isoquinoline
Also Known As: Isoquinoline,4-(3,5-difluorophenyl)-1,2,3,4-tetrahydro-2,7-dimethyl-, 4-(3,5-difluorophenyl)-2,7-dimethyl-3,4-dihydro-1H-isoquinoline
| Molecular Formula | C17H17F2N |
|---|---|
| Molecular Weight | 273.13 g/mol |
| LogP | 3.85052 |
| Topological Polar Surface Area | 3.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 273.1329 |
| Heavy Atoms | 20 |
| Complexity | 631.1834 |
Chemical Identifiers
| CAS Number | 339000-80-5 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)C(CN(C2)C)C3=CC(=CC(=C3)F)F |
Product Overview
4-(3,5-difluorophenyl)-2,7-dimethyl-3,4-dihydro-1H-isoquinoline (CAS 339000-80-5), with molecular formula C17H17F2N and molecular weight 273.13 g/mol. IUPAC: 4-(3,5-difluorophenyl)-2,7-dimethyl-3,4-dihydro-1H-isoquinoline.
Chemical Property Profile of 4-(3,5-difluorophenyl)-2,7-dimethyl-3,4-dihydro-1H-isoquinoline
Property Insights of 4-(3,5-difluorophenyl)-2,7-dimethyl-3,4-dihydro-1H-isoquinoline
The XLogP value of 3.85052 indicates that 4-(3,5-difluorophenyl)-2,7-dimethyl-3,4-dihydro-1H-isoquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.24 Ų, 4-(3,5-difluorophenyl)-2,7-dimethyl-3,4-dihydro-1H-isoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3,5-difluorophenyl)-2,7-dimethyl-3,4-dihydro-1H-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-(3,5-difluorophenyl)-2,7-dimethyl-3,4-dihydro-1H-isoquinoline?
The CAS number of 4-(3,5-difluorophenyl)-2,7-dimethyl-3,4-dihydro-1H-isoquinoline is 339000-80-5.
What is the molecular formula of 4-(3,5-difluorophenyl)-2,7-dimethyl-3,4-dihydro-1H-isoquinoline?
The molecular formula of 4-(3,5-difluorophenyl)-2,7-dimethyl-3,4-dihydro-1H-isoquinoline is C17H17F2N.
What is the molecular weight of 4-(3,5-difluorophenyl)-2,7-dimethyl-3,4-dihydro-1H-isoquinoline?
The molecular weight of 4-(3,5-difluorophenyl)-2,7-dimethyl-3,4-dihydro-1H-isoquinoline is 273.13 g/mol.
Where can I buy 4-(3,5-difluorophenyl)-2,7-dimethyl-3,4-dihydro-1H-isoquinoline?
You can request a quote for 4-(3,5-difluorophenyl)-2,7-dimethyl-3,4-dihydro-1H-isoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3,5-difluorophenyl)-2,7-dimethyl-3,4-dihydro-1H-isoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 4-(3,5-difluorophenyl)-2,7-dimethyl-3,4-dihydro-1H-isoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.