RefChem:276345
TL;DR: RefChem:276345 (CAS 82972-85-8) is a chemical compound with molecular formula C16H14ClN3S and molecular weight 315.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-2-(4-chlorophenyl)-1-sulfanylidene-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Also Known As: 3-amino-2-(4-chlorophenyl)-1-sulfanylidene-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 3-amino-2-(4-chlorophenyl)-1-thioxo-1,2,5,6,7,8-hexahydroisoquinoline-4-carbonitrile, 3-amino-2-(4-chlorophenyl)-1-sulfanylidene-5,6,7,8-tetrahydr, 3-amino-2-(4-chlorophenyl)-1-sulfanylidene1,2,5,6,7,8-hexahydroisoquinoline-4-carbonitrile, 3-Amino-2-(4-chlorophenyl)-1-sulfanylidene-1,2,5,6,7,8-hexahydroisoquinoline-4-carbonitrile
| Molecular Formula | C16H14ClN3S |
|---|---|
| Molecular Weight | 315.06 g/mol |
| LogP | 4.19287 |
| Topological Polar Surface Area | 54.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 315.0597 |
| Heavy Atoms | 21 |
| Complexity | 800.2425 |
Chemical Identifiers
| CAS Number | 82972-85-8 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(N(C2=S)C3=CC=C(C=C3)Cl)N)C#N |
Product Overview
RefChem:276345 (CAS 82972-85-8), with molecular formula C16H14ClN3S and molecular weight 315.06 g/mol. IUPAC: 3-amino-2-(4-chlorophenyl)-1-sulfanylidene-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile.
Chemical Property Profile of RefChem:276345
Property Insights of RefChem:276345
The XLogP value of 4.19287 indicates that RefChem:276345 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.74 Ų, RefChem:276345 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:276345 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 RefChem:276345?
The CAS number of RefChem:276345 is 82972-85-8.
What is the molecular formula of RefChem:276345?
The molecular formula of RefChem:276345 is C16H14ClN3S.
What is the molecular weight of RefChem:276345?
The molecular weight of RefChem:276345 is 315.06 g/mol.
Where can I buy RefChem:276345?
You can request a quote for RefChem:276345 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:276345?
Yes, KEHONG BIO provides custom synthesis services for RefChem:276345 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.