N-(5-chloro-2-methoxyphenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide
TL;DR: N-(5-chloro-2-methoxyphenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide (CAS 690247-65-5) is a chemical compound with molecular formula C17H17ClN2OS and molecular weight 332.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-chloro-2-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide
Also Known As: F1651-0129, N-(5-chloro-2-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-2-carbothioamide, N-(5-chloro-2-methoxyphenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide, N-(5-chloro-2-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide, (5-chloro-2-methoxyphenyl)-1,2,3,4-tetrahydro-2-isoquinolinecarbothioamide
| Molecular Formula | C17H17ClN2OS |
|---|---|
| Molecular Weight | 332.07 g/mol |
| LogP | 4.1037 |
| Topological Polar Surface Area | 24.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 332.075 |
| Heavy Atoms | 22 |
| Complexity | 704.80835 |
Chemical Identifiers
| CAS Number | 690247-65-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)Cl)NC(=S)N2CCC3=CC=CC=C3C2 |
Product Overview
N-(5-chloro-2-methoxyphenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide (CAS 690247-65-5), with molecular formula C17H17ClN2OS and molecular weight 332.07 g/mol. IUPAC: N-(5-chloro-2-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide.
Chemical Property Profile of N-(5-chloro-2-methoxyphenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Property Insights of N-(5-chloro-2-methoxyphenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide
The XLogP value of 4.1037 indicates that N-(5-chloro-2-methoxyphenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.5 Ų, N-(5-chloro-2-methoxyphenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(5-chloro-2-methoxyphenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide has 1 hydrogen bond donor(s) and 2 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-(5-chloro-2-methoxyphenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide?
The CAS number of N-(5-chloro-2-methoxyphenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide is 690247-65-5.
What is the molecular formula of N-(5-chloro-2-methoxyphenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide?
The molecular formula of N-(5-chloro-2-methoxyphenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide is C17H17ClN2OS.
What is the molecular weight of N-(5-chloro-2-methoxyphenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide?
The molecular weight of N-(5-chloro-2-methoxyphenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide is 332.07 g/mol.
Where can I buy N-(5-chloro-2-methoxyphenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide?
You can request a quote for N-(5-chloro-2-methoxyphenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5-chloro-2-methoxyphenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-chloro-2-methoxyphenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.