N-(4-anilinophenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide
TL;DR: N-(4-anilinophenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide (CAS 516458-57-4) is a chemical compound with molecular formula C22H21N3S and molecular weight 359.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-anilinophenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide
Also Known As: N-(4-anilinophenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide, N-(4-ANILINOPHENYL)-3,4-DIHYDRO-2(1H)-ISOQUINOLINECARBOTHIOAMIDE, N-[4-(phenylamino)phenyl]-3,4-dihydroisoquinoline-2(1H)-carbothioamide, {[4-(phenylamino)phenyl]amino}-2-1,2,3,4-tetrahydroisoquinolylmethane-1-thione
| Molecular Formula | C22H21N3S |
|---|---|
| Molecular Weight | 359.15 g/mol |
| LogP | 5.1853 |
| Topological Polar Surface Area | 27.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 359.14563 |
| Heavy Atoms | 26 |
| Complexity | 890.77563 |
Chemical Identifiers
| CAS Number | 516458-57-4 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)C(=S)NC3=CC=C(C=C3)NC4=CC=CC=C4 |
Product Overview
N-(4-anilinophenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide (CAS 516458-57-4), with molecular formula C22H21N3S and molecular weight 359.15 g/mol. IUPAC: N-(4-anilinophenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide.
Chemical Property Profile of N-(4-anilinophenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide
Property Insights of N-(4-anilinophenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide
The XLogP value of 5.1853 indicates that N-(4-anilinophenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.3 Ų, N-(4-anilinophenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-anilinophenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(4-anilinophenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide?
The CAS number of N-(4-anilinophenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide is 516458-57-4.
What is the molecular formula of N-(4-anilinophenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide?
The molecular formula of N-(4-anilinophenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide is C22H21N3S.
What is the molecular weight of N-(4-anilinophenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide?
The molecular weight of N-(4-anilinophenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide is 359.15 g/mol.
Where can I buy N-(4-anilinophenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide?
You can request a quote for N-(4-anilinophenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-anilinophenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-anilinophenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.