2(1H)-Isoquinolinecarbothioamide, 3,4-dihydro-N-phenyl-
TL;DR: 2(1H)-Isoquinolinecarbothioamide, 3,4-dihydro-N-phenyl- (CAS 89652-23-3) is a chemical compound with molecular formula C16H16N2S and molecular weight 268.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-phenyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide
Also Known As: 2(1H)-Isoquinolinecarbothioamide, 3,4-dihydro-N-phenyl-, BAS 04935856, N-phenyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide, N-phenyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide, N-phenyl-3,4-dihydro-2(1H)-isoquinolinecarbothioamide
| Molecular Formula | C16H16N2S |
|---|---|
| Molecular Weight | 268.10 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 47.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 268.10342 |
| Heavy Atoms | 19 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 89652-23-3 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)C(=S)NC3=CC=CC=C3 |
| InChIKey | FAPOHPPTCHNTGU-UHFFFAOYSA-N |
Product Overview
2(1H)-Isoquinolinecarbothioamide, 3,4-dihydro-N-phenyl- (CAS 89652-23-3), with molecular formula C16H16N2S and molecular weight 268.10 g/mol. IUPAC: N-phenyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide.
Chemical Property Profile of 2(1H)-Isoquinolinecarbothioamide, 3,4-dihydro-N-phenyl-
Property Insights of 2(1H)-Isoquinolinecarbothioamide, 3,4-dihydro-N-phenyl-
The XLogP value of 3.2 indicates that 2(1H)-Isoquinolinecarbothioamide, 3,4-dihydro-N-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.4 Ų, 2(1H)-Isoquinolinecarbothioamide, 3,4-dihydro-N-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2(1H)-Isoquinolinecarbothioamide, 3,4-dihydro-N-phenyl- 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 2(1H)-Isoquinolinecarbothioamide, 3,4-dihydro-N-phenyl-?
The CAS number of 2(1H)-Isoquinolinecarbothioamide, 3,4-dihydro-N-phenyl- is 89652-23-3.
What is the molecular formula of 2(1H)-Isoquinolinecarbothioamide, 3,4-dihydro-N-phenyl-?
The molecular formula of 2(1H)-Isoquinolinecarbothioamide, 3,4-dihydro-N-phenyl- is C16H16N2S.
What is the molecular weight of 2(1H)-Isoquinolinecarbothioamide, 3,4-dihydro-N-phenyl-?
The molecular weight of 2(1H)-Isoquinolinecarbothioamide, 3,4-dihydro-N-phenyl- is 268.10 g/mol.
Where can I buy 2(1H)-Isoquinolinecarbothioamide, 3,4-dihydro-N-phenyl-?
You can request a quote for 2(1H)-Isoquinolinecarbothioamide, 3,4-dihydro-N-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2(1H)-Isoquinolinecarbothioamide, 3,4-dihydro-N-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 2(1H)-Isoquinolinecarbothioamide, 3,4-dihydro-N-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.