3-Amino-2-methyl-1-sulfanylidene-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
TL;DR: 3-Amino-2-methyl-1-sulfanylidene-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile (CAS 50706-63-3) is a chemical compound with molecular formula C11H13N3S and molecular weight 219.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-2-methyl-1-sulfanylidene-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Also Known As: BAS 01076511, AB00100910-01, AE-848/11105226, 3-amino-2-methyl-1-thioxo-1,2,5,6,7,8-hexahydro-4-isoquinolinecarbonitrile, 3-amino-2-methyl-1-thioxo-1,2,5,6,7,8-hexahydroisoquinoline-4-carbonitrile
| Molecular Formula | C11H13N3S |
|---|---|
| Molecular Weight | 219.08 g/mol |
| LogP | 2.08727 |
| Topological Polar Surface Area | 54.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 219.08302 |
| Heavy Atoms | 15 |
| Complexity | 508.03503 |
Chemical Identifiers
| CAS Number | 50706-63-3 |
|---|---|
| SMILES | CN1C(=C(C2=C(C1=S)CCCC2)C#N)N |
Product Overview
3-Amino-2-methyl-1-sulfanylidene-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile (CAS 50706-63-3), with molecular formula C11H13N3S and molecular weight 219.08 g/mol. IUPAC: 3-amino-2-methyl-1-sulfanylidene-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile.
Chemical Property Profile of 3-Amino-2-methyl-1-sulfanylidene-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Property Insights of 3-Amino-2-methyl-1-sulfanylidene-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
The XLogP value of 2.08727 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-2-methyl-1-sulfanylidene-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile. With a topological polar surface area (TPSA) of 54.74 Ų, 3-Amino-2-methyl-1-sulfanylidene-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Amino-2-methyl-1-sulfanylidene-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-2-methyl-1-sulfanylidene-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The CAS number of 3-Amino-2-methyl-1-sulfanylidene-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is 50706-63-3.
What is the molecular formula of 3-Amino-2-methyl-1-sulfanylidene-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The molecular formula of 3-Amino-2-methyl-1-sulfanylidene-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is C11H13N3S.
What is the molecular weight of 3-Amino-2-methyl-1-sulfanylidene-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The molecular weight of 3-Amino-2-methyl-1-sulfanylidene-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is 219.08 g/mol.
Where can I buy 3-Amino-2-methyl-1-sulfanylidene-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
You can request a quote for 3-Amino-2-methyl-1-sulfanylidene-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-2-methyl-1-sulfanylidene-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-2-methyl-1-sulfanylidene-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.