![1-(2-Cyanoethyl)-3-phenyl-1-[4-(propan-2-yloxy)benzyl]thiourea structure](/static/products/374/374086-05-2.png)
1-(2-Cyanoethyl)-3-phenyl-1-[4-(propan-2-yloxy)benzyl]thiourea
TL;DR: 1-(2-Cyanoethyl)-3-phenyl-1-[4-(propan-2-yloxy)benzyl]thiourea (CAS 374086-05-2) is a chemical compound with molecular formula C20H23N3OS and molecular weight 353.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-cyanoethyl)-3-phenyl-1-[(4-propan-2-yloxyphenyl)methyl]thiourea
Also Known As: 1-(2-cyanoethyl)-1-(4-isopropoxybenzyl)-3-phenylthiourea, 1-(2-cyanoethyl)-3-phenyl-1-[4-(propan-2-yloxy)benzyl]thiourea, 1-(2-cyanoethyl)-3-phenyl-1-[(4-propan-2-yloxyphenyl)methyl]thiourea
| Molecular Formula | C20H23N3OS |
|---|---|
| Molecular Weight | 353.16 g/mol |
| LogP | 4.58648 |
| Topological Polar Surface Area | 48.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 353.1562 |
| Heavy Atoms | 25 |
| Complexity | 707.9712 |
Chemical Identifiers
| CAS Number | 374086-05-2 |
|---|---|
| SMILES | CC(C)OC1=CC=C(C=C1)CN(CCC#N)C(=S)NC2=CC=CC=C2 |
Product Overview
1-(2-Cyanoethyl)-3-phenyl-1-[4-(propan-2-yloxy)benzyl]thiourea (CAS 374086-05-2), with molecular formula C20H23N3OS and molecular weight 353.16 g/mol. IUPAC: 1-(2-cyanoethyl)-3-phenyl-1-[(4-propan-2-yloxyphenyl)methyl]thiourea.
Chemical Property Profile of 1-(2-Cyanoethyl)-3-phenyl-1-[4-(propan-2-yloxy)benzyl]thiourea
Property Insights of 1-(2-Cyanoethyl)-3-phenyl-1-[4-(propan-2-yloxy)benzyl]thiourea
The XLogP value of 4.58648 indicates that 1-(2-Cyanoethyl)-3-phenyl-1-[4-(propan-2-yloxy)benzyl]thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.29 Ų, 1-(2-Cyanoethyl)-3-phenyl-1-[4-(propan-2-yloxy)benzyl]thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Cyanoethyl)-3-phenyl-1-[4-(propan-2-yloxy)benzyl]thiourea has 1 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 1-(2-Cyanoethyl)-3-phenyl-1-[4-(propan-2-yloxy)benzyl]thiourea?
The CAS number of 1-(2-Cyanoethyl)-3-phenyl-1-[4-(propan-2-yloxy)benzyl]thiourea is 374086-05-2.
What is the molecular formula of 1-(2-Cyanoethyl)-3-phenyl-1-[4-(propan-2-yloxy)benzyl]thiourea?
The molecular formula of 1-(2-Cyanoethyl)-3-phenyl-1-[4-(propan-2-yloxy)benzyl]thiourea is C20H23N3OS.
What is the molecular weight of 1-(2-Cyanoethyl)-3-phenyl-1-[4-(propan-2-yloxy)benzyl]thiourea?
The molecular weight of 1-(2-Cyanoethyl)-3-phenyl-1-[4-(propan-2-yloxy)benzyl]thiourea is 353.16 g/mol.
Where can I buy 1-(2-Cyanoethyl)-3-phenyl-1-[4-(propan-2-yloxy)benzyl]thiourea?
You can request a quote for 1-(2-Cyanoethyl)-3-phenyl-1-[4-(propan-2-yloxy)benzyl]thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Cyanoethyl)-3-phenyl-1-[4-(propan-2-yloxy)benzyl]thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Cyanoethyl)-3-phenyl-1-[4-(propan-2-yloxy)benzyl]thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.