4-(3,4-Dihydroisoquinolin-1-yl)heptanedinitrile
TL;DR: 4-(3,4-Dihydroisoquinolin-1-yl)heptanedinitrile (CAS 300393-82-2) is a chemical compound with molecular formula C16H17N3 and molecular weight 251.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3,4-dihydroisoquinolin-1-yl)heptanedinitrile
Also Known As: 4-(3,4-dihydroisoquinolin-1-yl)heptanedinitrile, AJ-292/34007020, 4-(3,4-Dihydro-isoquinolin-1-yl)-heptanedinitrile, Cambridge id 5342919
| Molecular Formula | C16H17N3 |
|---|---|
| Molecular Weight | 251.14 g/mol |
| LogP | 3.25556 |
| Topological Polar Surface Area | 59.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 251.14224 |
| Heavy Atoms | 19 |
| Complexity | 527.84784 |
Chemical Identifiers
| CAS Number | 300393-82-2 |
|---|---|
| SMILES | C1CN=C(C2=CC=CC=C21)C(CCC#N)CCC#N |
Product Overview
4-(3,4-Dihydroisoquinolin-1-yl)heptanedinitrile (CAS 300393-82-2), with molecular formula C16H17N3 and molecular weight 251.14 g/mol. IUPAC: 4-(3,4-dihydroisoquinolin-1-yl)heptanedinitrile.
Chemical Property Profile of 4-(3,4-Dihydroisoquinolin-1-yl)heptanedinitrile
Property Insights of 4-(3,4-Dihydroisoquinolin-1-yl)heptanedinitrile
The XLogP value of 3.25556 indicates that 4-(3,4-Dihydroisoquinolin-1-yl)heptanedinitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.94 Ų, 4-(3,4-Dihydroisoquinolin-1-yl)heptanedinitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3,4-Dihydroisoquinolin-1-yl)heptanedinitrile 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 4-(3,4-Dihydroisoquinolin-1-yl)heptanedinitrile?
The CAS number of 4-(3,4-Dihydroisoquinolin-1-yl)heptanedinitrile is 300393-82-2.
What is the molecular formula of 4-(3,4-Dihydroisoquinolin-1-yl)heptanedinitrile?
The molecular formula of 4-(3,4-Dihydroisoquinolin-1-yl)heptanedinitrile is C16H17N3.
What is the molecular weight of 4-(3,4-Dihydroisoquinolin-1-yl)heptanedinitrile?
The molecular weight of 4-(3,4-Dihydroisoquinolin-1-yl)heptanedinitrile is 251.14 g/mol.
Where can I buy 4-(3,4-Dihydroisoquinolin-1-yl)heptanedinitrile?
You can request a quote for 4-(3,4-Dihydroisoquinolin-1-yl)heptanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3,4-Dihydroisoquinolin-1-yl)heptanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(3,4-Dihydroisoquinolin-1-yl)heptanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.