3-(Benzylamino)-1-propan-2-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
TL;DR: 3-(Benzylamino)-1-propan-2-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile (CAS 371930-99-3) is a chemical compound with molecular formula C20H23N3 and molecular weight 305.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(benzylamino)-1-propan-2-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Also Known As: 3-(benzylamino)-1-propan-2-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 3-(benzylamino)-1-isopropyl-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile, 3-(benzylamino)-1-isopropyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 3-(benzylamino)-1-(propan-2-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 3-[(phenylmethyl)amino]-1-propan-2-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
| Molecular Formula | C20H23N3 |
|---|---|
| Molecular Weight | 305.19 g/mol |
| LogP | 4.56758 |
| Topological Polar Surface Area | 48.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 305.1892 |
| Heavy Atoms | 23 |
| Complexity | 726.7874 |
Chemical Identifiers
| CAS Number | 371930-99-3 |
|---|---|
| SMILES | CC(C)C1=NC(=C(C2=C1CCCC2)C#N)NCC3=CC=CC=C3 |
Product Overview
3-(Benzylamino)-1-propan-2-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile (CAS 371930-99-3), with molecular formula C20H23N3 and molecular weight 305.19 g/mol. IUPAC: 3-(benzylamino)-1-propan-2-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile.
Chemical Property Profile of 3-(Benzylamino)-1-propan-2-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Property Insights of 3-(Benzylamino)-1-propan-2-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
The XLogP value of 4.56758 indicates that 3-(Benzylamino)-1-propan-2-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.71 Ų, 3-(Benzylamino)-1-propan-2-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Benzylamino)-1-propan-2-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile has 1 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 3-(Benzylamino)-1-propan-2-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The CAS number of 3-(Benzylamino)-1-propan-2-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is 371930-99-3.
What is the molecular formula of 3-(Benzylamino)-1-propan-2-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The molecular formula of 3-(Benzylamino)-1-propan-2-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is C20H23N3.
What is the molecular weight of 3-(Benzylamino)-1-propan-2-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The molecular weight of 3-(Benzylamino)-1-propan-2-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is 305.19 g/mol.
Where can I buy 3-(Benzylamino)-1-propan-2-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
You can request a quote for 3-(Benzylamino)-1-propan-2-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Benzylamino)-1-propan-2-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(Benzylamino)-1-propan-2-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.