Thiocarbanidin
TL;DR: Thiocarbanidin (CAS 92-97-7) is a chemical compound with molecular formula C22H23N3OS and molecular weight 377.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(2-methylpropoxy)phenyl]-3-(4-pyridin-2-ylphenyl)thiourea
Also Known As: Thiocarbanidin, Thioban, Thiourea analog, N,N'-Bis(1,1'-biphenyl-4-yl)thiourea, Thiourea, N,N'-bis(1,1'-biphenyl-4-yl)-
| Molecular Formula | C22H23N3OS |
|---|---|
| Molecular Weight | 377.16 g/mol |
| LogP | 5.5923 |
| Topological Polar Surface Area | 46.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 377.1562 |
| Heavy Atoms | 27 |
| Complexity | 862.32446 |
Chemical Identifiers
| CAS Number | 92-97-7 |
|---|---|
| SMILES | CC(C)COC1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)C3=CC=CC=N3 |
Product Overview
Thiocarbanidin (CAS 92-97-7), with molecular formula C22H23N3OS and molecular weight 377.16 g/mol. IUPAC: 1-[4-(2-methylpropoxy)phenyl]-3-(4-pyridin-2-ylphenyl)thiourea.
Chemical Property Profile of Thiocarbanidin
Property Insights of Thiocarbanidin
The XLogP value of 5.5923 indicates that Thiocarbanidin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.18 Ų, Thiocarbanidin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thiocarbanidin has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Thiocarbanidin?
The CAS number of Thiocarbanidin is 92-97-7.
What is the molecular formula of Thiocarbanidin?
The molecular formula of Thiocarbanidin is C22H23N3OS.
What is the molecular weight of Thiocarbanidin?
The molecular weight of Thiocarbanidin is 377.16 g/mol.
Where can I buy Thiocarbanidin?
You can request a quote for Thiocarbanidin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiocarbanidin?
Yes, KEHONG BIO provides custom synthesis services for Thiocarbanidin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.