(E)-N'-(4-(difluoromethoxy)phenyl)-N-phenethylcarbamimidothioic acid
TL;DR: (E)-N'-(4-(difluoromethoxy)phenyl)-N-phenethylcarbamimidothioic acid (CAS 326015-81-0) is a chemical compound with molecular formula C16H16F2N2OS and molecular weight 322.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(difluoromethoxy)phenyl]-3-(2-phenylethyl)thiourea
Also Known As: AB01330464-02, 1-[4-(difluoromethoxy)phenyl]-3-phenethylthiourea, (E)-N'-[4-(difluoromethoxy)phenyl]-N-(2-phenylethyl)carbamimidothioic acid, F0807-0847, (E)-N'-(4-(difluoromethoxy)phenyl)-N-phenethylcarbamimidothioic acid
| Molecular Formula | C16H16F2N2OS |
|---|---|
| Molecular Weight | 322.10 g/mol |
| LogP | 3.8171 |
| Topological Polar Surface Area | 33.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 322.09515 |
| Heavy Atoms | 22 |
| Complexity | 590.8546 |
Chemical Identifiers
| CAS Number | 326015-81-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCNC(=S)NC2=CC=C(C=C2)OC(F)F |
Product Overview
(E)-N'-(4-(difluoromethoxy)phenyl)-N-phenethylcarbamimidothioic acid (CAS 326015-81-0), with molecular formula C16H16F2N2OS and molecular weight 322.10 g/mol. IUPAC: 1-[4-(difluoromethoxy)phenyl]-3-(2-phenylethyl)thiourea.
Chemical Property Profile of (E)-N'-(4-(difluoromethoxy)phenyl)-N-phenethylcarbamimidothioic acid
Property Insights of (E)-N'-(4-(difluoromethoxy)phenyl)-N-phenethylcarbamimidothioic acid
The XLogP value of 3.8171 indicates that (E)-N'-(4-(difluoromethoxy)phenyl)-N-phenethylcarbamimidothioic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.29 Ų, (E)-N'-(4-(difluoromethoxy)phenyl)-N-phenethylcarbamimidothioic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-N'-(4-(difluoromethoxy)phenyl)-N-phenethylcarbamimidothioic acid 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 (E)-N'-(4-(difluoromethoxy)phenyl)-N-phenethylcarbamimidothioic acid?
The CAS number of (E)-N'-(4-(difluoromethoxy)phenyl)-N-phenethylcarbamimidothioic acid is 326015-81-0.
What is the molecular formula of (E)-N'-(4-(difluoromethoxy)phenyl)-N-phenethylcarbamimidothioic acid?
The molecular formula of (E)-N'-(4-(difluoromethoxy)phenyl)-N-phenethylcarbamimidothioic acid is C16H16F2N2OS.
What is the molecular weight of (E)-N'-(4-(difluoromethoxy)phenyl)-N-phenethylcarbamimidothioic acid?
The molecular weight of (E)-N'-(4-(difluoromethoxy)phenyl)-N-phenethylcarbamimidothioic acid is 322.10 g/mol.
Where can I buy (E)-N'-(4-(difluoromethoxy)phenyl)-N-phenethylcarbamimidothioic acid?
You can request a quote for (E)-N'-(4-(difluoromethoxy)phenyl)-N-phenethylcarbamimidothioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-N'-(4-(difluoromethoxy)phenyl)-N-phenethylcarbamimidothioic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-N'-(4-(difluoromethoxy)phenyl)-N-phenethylcarbamimidothioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.