1-(2-furyl)-3-(3-methoxypropylamino)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
TL;DR: 1-(2-furyl)-3-(3-methoxypropylamino)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile (CAS 904005-35-2) is a chemical compound with molecular formula C18H21N3O2 and molecular weight 311.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(furan-2-yl)-3-(3-methoxypropylamino)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Also Known As: 1-(2-furyl)-3-(3-methoxypropylamino)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 1-(furan-2-yl)-3-((3-methoxypropyl)amino)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 1-(furan-2-yl)-3-(3-methoxypropylamino)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 1-(furan-2-yl)-3-[(3-methoxypropyl)amino]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
| Molecular Formula | C18H21N3O2 |
|---|---|
| Molecular Weight | 311.16 g/mol |
| LogP | 3.54048 |
| Topological Polar Surface Area | 71.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 311.1634 |
| Heavy Atoms | 23 |
| Complexity | 702.0422 |
Chemical Identifiers
| CAS Number | 904005-35-2 |
|---|---|
| SMILES | COCCCNC1=C(C2=C(CCCC2)C(=N1)C3=CC=CO3)C#N |
Product Overview
1-(2-furyl)-3-(3-methoxypropylamino)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile (CAS 904005-35-2), with molecular formula C18H21N3O2 and molecular weight 311.16 g/mol. IUPAC: 1-(furan-2-yl)-3-(3-methoxypropylamino)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile.
Chemical Property Profile of 1-(2-furyl)-3-(3-methoxypropylamino)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Property Insights of 1-(2-furyl)-3-(3-methoxypropylamino)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
The XLogP value of 3.54048 indicates that 1-(2-furyl)-3-(3-methoxypropylamino)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-furyl)-3-(3-methoxypropylamino)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile. Following Lipinski's Rule of Five, 1-(2-furyl)-3-(3-methoxypropylamino)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile has 1 hydrogen bond donor(s) and 5 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 1-(2-furyl)-3-(3-methoxypropylamino)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The CAS number of 1-(2-furyl)-3-(3-methoxypropylamino)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is 904005-35-2.
What is the molecular formula of 1-(2-furyl)-3-(3-methoxypropylamino)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The molecular formula of 1-(2-furyl)-3-(3-methoxypropylamino)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is C18H21N3O2.
What is the molecular weight of 1-(2-furyl)-3-(3-methoxypropylamino)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The molecular weight of 1-(2-furyl)-3-(3-methoxypropylamino)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is 311.16 g/mol.
Where can I buy 1-(2-furyl)-3-(3-methoxypropylamino)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
You can request a quote for 1-(2-furyl)-3-(3-methoxypropylamino)-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 1-(2-furyl)-3-(3-methoxypropylamino)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-furyl)-3-(3-methoxypropylamino)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.