3-Amino-2-phenyl-1-sulfanylidene-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
TL;DR: 3-Amino-2-phenyl-1-sulfanylidene-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile (CAS 28870-29-3) is a chemical compound with molecular formula C16H15N3S and molecular weight 281.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-2-phenyl-1-sulfanylidene-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Also Known As: BAS 01076531, J1.411.543I, 3-amino-2-phenyl-1-thioxo-1,2,5,6,7,8-hexahydroisoquinoline-4-carbonitrile, 3-amino-2-phenyl-1-sulfanylidene-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 3-amino-2-phenyl-1-thioxo-2,5,6,7,8-pentahydroisoquinoline-4-carbonitrile
| Molecular Formula | C16H15N3S |
|---|---|
| Molecular Weight | 281.10 g/mol |
| LogP | 3.53947 |
| Topological Polar Surface Area | 54.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 281.09866 |
| Heavy Atoms | 20 |
| Complexity | 754.017 |
Chemical Identifiers
| CAS Number | 28870-29-3 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(N(C2=S)C3=CC=CC=C3)N)C#N |
Product Overview
3-Amino-2-phenyl-1-sulfanylidene-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile (CAS 28870-29-3), with molecular formula C16H15N3S and molecular weight 281.10 g/mol. IUPAC: 3-amino-2-phenyl-1-sulfanylidene-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile.
Chemical Property Profile of 3-Amino-2-phenyl-1-sulfanylidene-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Property Insights of 3-Amino-2-phenyl-1-sulfanylidene-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
The XLogP value of 3.53947 indicates that 3-Amino-2-phenyl-1-sulfanylidene-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 54.74 Ų, 3-Amino-2-phenyl-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-phenyl-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-phenyl-1-sulfanylidene-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The CAS number of 3-Amino-2-phenyl-1-sulfanylidene-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is 28870-29-3.
What is the molecular formula of 3-Amino-2-phenyl-1-sulfanylidene-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The molecular formula of 3-Amino-2-phenyl-1-sulfanylidene-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is C16H15N3S.
What is the molecular weight of 3-Amino-2-phenyl-1-sulfanylidene-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The molecular weight of 3-Amino-2-phenyl-1-sulfanylidene-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is 281.10 g/mol.
Where can I buy 3-Amino-2-phenyl-1-sulfanylidene-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
You can request a quote for 3-Amino-2-phenyl-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-phenyl-1-sulfanylidene-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-2-phenyl-1-sulfanylidene-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.