![Thiourea, [4-(octahydro-2(1H)-isoquinolinyl)phenyl]- structure](/static/products/832/832098-95-0.png)
Thiourea, [4-(octahydro-2(1H)-isoquinolinyl)phenyl]-
TL;DR: Thiourea, [4-(octahydro-2(1H)-isoquinolinyl)phenyl]- (CAS 832098-95-0) is a chemical compound with molecular formula C16H23N3S and molecular weight 289.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)phenyl]thiourea
Also Known As: Thiourea, [4-(octahydro-2(1H)-isoquinolinyl)phenyl]-, [4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)phenyl]thiourea, N-[4-(Octahydroisoquinolin-2(1H)-yl)phenyl]thiourea, Thiourea, N-[4-(octahydro-2(1H)-isoquinolinyl)phenyl]-
| Molecular Formula | C16H23N3S |
|---|---|
| Molecular Weight | 289.16 g/mol |
| LogP | 3.3586 |
| Topological Polar Surface Area | 41.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 289.16125 |
| Heavy Atoms | 20 |
| Complexity | 471.11526 |
Chemical Identifiers
| CAS Number | 832098-95-0 |
|---|---|
| SMILES | C1CCC2CN(CCC2C1)C3=CC=C(C=C3)NC(=S)N |
Product Overview
Thiourea, [4-(octahydro-2(1H)-isoquinolinyl)phenyl]- (CAS 832098-95-0), with molecular formula C16H23N3S and molecular weight 289.16 g/mol. IUPAC: [4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)phenyl]thiourea.
Chemical Property Profile of Thiourea, [4-(octahydro-2(1H)-isoquinolinyl)phenyl]-
Property Insights of Thiourea, [4-(octahydro-2(1H)-isoquinolinyl)phenyl]-
The XLogP value of 3.3586 indicates that Thiourea, [4-(octahydro-2(1H)-isoquinolinyl)phenyl]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.29 Ų, Thiourea, [4-(octahydro-2(1H)-isoquinolinyl)phenyl]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thiourea, [4-(octahydro-2(1H)-isoquinolinyl)phenyl]- has 2 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 Thiourea, [4-(octahydro-2(1H)-isoquinolinyl)phenyl]-?
The CAS number of Thiourea, [4-(octahydro-2(1H)-isoquinolinyl)phenyl]- is 832098-95-0.
What is the molecular formula of Thiourea, [4-(octahydro-2(1H)-isoquinolinyl)phenyl]-?
The molecular formula of Thiourea, [4-(octahydro-2(1H)-isoquinolinyl)phenyl]- is C16H23N3S.
What is the molecular weight of Thiourea, [4-(octahydro-2(1H)-isoquinolinyl)phenyl]-?
The molecular weight of Thiourea, [4-(octahydro-2(1H)-isoquinolinyl)phenyl]- is 289.16 g/mol.
Where can I buy Thiourea, [4-(octahydro-2(1H)-isoquinolinyl)phenyl]-?
You can request a quote for Thiourea, [4-(octahydro-2(1H)-isoquinolinyl)phenyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiourea, [4-(octahydro-2(1H)-isoquinolinyl)phenyl]-?
Yes, KEHONG BIO provides custom synthesis services for Thiourea, [4-(octahydro-2(1H)-isoquinolinyl)phenyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.