3-Amino-7-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
TL;DR: 3-Amino-7-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile (CAS 146353-62-0) is a chemical compound with molecular formula C11H13N3 and molecular weight 187.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-7-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Also Known As: 3-amino-7-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 3-Amino-4-cyano-7-methyl-5,6,7,8-tetrahydroquinoline, 3-Amino-7-methyl-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile #
| Molecular Formula | C11H13N3 |
|---|---|
| Molecular Weight | 187.11 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 62.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 187.11095 |
| Heavy Atoms | 14 |
| Complexity | 255.0 |
Chemical Identifiers
| CAS Number | 146353-62-0 |
|---|---|
| SMILES | CC1CCC2=C(C(=NC=C2C1)N)C#N |
| InChIKey | WIAPNPFNRWGHIO-UHFFFAOYSA-N |
Product Overview
3-Amino-7-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile (CAS 146353-62-0), with molecular formula C11H13N3 and molecular weight 187.11 g/mol. IUPAC: 3-amino-7-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile.
Chemical Property Profile of 3-Amino-7-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Property Insights of 3-Amino-7-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-7-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile. The TPSA of 62.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Amino-7-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile. Following Lipinski's Rule of Five, 3-Amino-7-methyl-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-Amino-7-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The CAS number of 3-Amino-7-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is 146353-62-0.
What is the molecular formula of 3-Amino-7-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The molecular formula of 3-Amino-7-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is C11H13N3.
What is the molecular weight of 3-Amino-7-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The molecular weight of 3-Amino-7-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is 187.11 g/mol.
Where can I buy 3-Amino-7-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
You can request a quote for 3-Amino-7-methyl-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-Amino-7-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-7-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.