N-(3-chloro-2-methylphenyl)-3,4-dihydro-2(1H)-isoquinolinecarbothioamide
TL;DR: N-(3-chloro-2-methylphenyl)-3,4-dihydro-2(1H)-isoquinolinecarbothioamide (CAS 693233-53-3) is a chemical compound with molecular formula C17H17ClN2S and molecular weight 316.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-2-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide
Also Known As: N-(3-chloro-2-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide, N-(3-chloro-2-methylphenyl)-3,4-dihydro-2(1H)-isoquinolinecarbothioamide, N-(3-chloro-2-methylphenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide, [(3-chloro-2-methylphenyl)amino]-2-1,2,3,4-tetrahydroisoquinolylmethane-1-thio ne
| Molecular Formula | C17H17ClN2S |
|---|---|
| Molecular Weight | 316.08 g/mol |
| LogP | 4.40352 |
| Topological Polar Surface Area | 15.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 316.0801 |
| Heavy Atoms | 21 |
| Complexity | 684.24036 |
Chemical Identifiers
| CAS Number | 693233-53-3 |
|---|---|
| SMILES | CC1=C(C=CC=C1Cl)NC(=S)N2CCC3=CC=CC=C3C2 |
Product Overview
N-(3-chloro-2-methylphenyl)-3,4-dihydro-2(1H)-isoquinolinecarbothioamide (CAS 693233-53-3), with molecular formula C17H17ClN2S and molecular weight 316.08 g/mol. IUPAC: N-(3-chloro-2-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide.
Chemical Property Profile of N-(3-chloro-2-methylphenyl)-3,4-dihydro-2(1H)-isoquinolinecarbothioamide
Property Insights of N-(3-chloro-2-methylphenyl)-3,4-dihydro-2(1H)-isoquinolinecarbothioamide
The XLogP value of 4.40352 indicates that N-(3-chloro-2-methylphenyl)-3,4-dihydro-2(1H)-isoquinolinecarbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 15.27 Ų, N-(3-chloro-2-methylphenyl)-3,4-dihydro-2(1H)-isoquinolinecarbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-chloro-2-methylphenyl)-3,4-dihydro-2(1H)-isoquinolinecarbothioamide has 1 hydrogen bond donor(s) and 1 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 N-(3-chloro-2-methylphenyl)-3,4-dihydro-2(1H)-isoquinolinecarbothioamide?
The CAS number of N-(3-chloro-2-methylphenyl)-3,4-dihydro-2(1H)-isoquinolinecarbothioamide is 693233-53-3.
What is the molecular formula of N-(3-chloro-2-methylphenyl)-3,4-dihydro-2(1H)-isoquinolinecarbothioamide?
The molecular formula of N-(3-chloro-2-methylphenyl)-3,4-dihydro-2(1H)-isoquinolinecarbothioamide is C17H17ClN2S.
What is the molecular weight of N-(3-chloro-2-methylphenyl)-3,4-dihydro-2(1H)-isoquinolinecarbothioamide?
The molecular weight of N-(3-chloro-2-methylphenyl)-3,4-dihydro-2(1H)-isoquinolinecarbothioamide is 316.08 g/mol.
Where can I buy N-(3-chloro-2-methylphenyl)-3,4-dihydro-2(1H)-isoquinolinecarbothioamide?
You can request a quote for N-(3-chloro-2-methylphenyl)-3,4-dihydro-2(1H)-isoquinolinecarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-chloro-2-methylphenyl)-3,4-dihydro-2(1H)-isoquinolinecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-chloro-2-methylphenyl)-3,4-dihydro-2(1H)-isoquinolinecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.