N-(1-adamantylcarbonyl)-N'-(2-cyanophenyl)thiourea
TL;DR: N-(1-adamantylcarbonyl)-N'-(2-cyanophenyl)thiourea (CAS 727674-45-5) is a chemical compound with molecular formula C19H21N3OS and molecular weight 339.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2-cyanophenyl)carbamothioyl]adamantane-1-carboxamide
Also Known As: N-(1-adamantylcarbonyl)-N'-(2-cyanophenyl)thiourea, N-[(2-cyanophenyl)carbamothioyl]adamantane-1-carboxamide, AO-080/43378179, N-(1-Adamantylcarbonyl)-N/'-(2-cyanophenyl)thiourea, A3765/0159720
| Molecular Formula | C19H21N3OS |
|---|---|
| Molecular Weight | 339.14 g/mol |
| LogP | 3.58768 |
| Topological Polar Surface Area | 64.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 339.14053 |
| Heavy Atoms | 24 |
| Complexity | 701.0884 |
Chemical Identifiers
| CAS Number | 727674-45-5 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)C(=O)NC(=S)NC4=CC=CC=C4C#N |
Product Overview
N-(1-adamantylcarbonyl)-N'-(2-cyanophenyl)thiourea (CAS 727674-45-5), with molecular formula C19H21N3OS and molecular weight 339.14 g/mol. IUPAC: N-[(2-cyanophenyl)carbamothioyl]adamantane-1-carboxamide.
Chemical Property Profile of N-(1-adamantylcarbonyl)-N'-(2-cyanophenyl)thiourea
Property Insights of N-(1-adamantylcarbonyl)-N'-(2-cyanophenyl)thiourea
The XLogP value of 3.58768 indicates that N-(1-adamantylcarbonyl)-N'-(2-cyanophenyl)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.92 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1-adamantylcarbonyl)-N'-(2-cyanophenyl)thiourea. Following Lipinski's Rule of Five, N-(1-adamantylcarbonyl)-N'-(2-cyanophenyl)thiourea has 2 hydrogen bond donor(s) and 3 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-(1-adamantylcarbonyl)-N'-(2-cyanophenyl)thiourea?
The CAS number of N-(1-adamantylcarbonyl)-N'-(2-cyanophenyl)thiourea is 727674-45-5.
What is the molecular formula of N-(1-adamantylcarbonyl)-N'-(2-cyanophenyl)thiourea?
The molecular formula of N-(1-adamantylcarbonyl)-N'-(2-cyanophenyl)thiourea is C19H21N3OS.
What is the molecular weight of N-(1-adamantylcarbonyl)-N'-(2-cyanophenyl)thiourea?
The molecular weight of N-(1-adamantylcarbonyl)-N'-(2-cyanophenyl)thiourea is 339.14 g/mol.
Where can I buy N-(1-adamantylcarbonyl)-N'-(2-cyanophenyl)thiourea?
You can request a quote for N-(1-adamantylcarbonyl)-N'-(2-cyanophenyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1-adamantylcarbonyl)-N'-(2-cyanophenyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for N-(1-adamantylcarbonyl)-N'-(2-cyanophenyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.