3-(4-(Difluoromethoxy)phenyl)-1,1-diethylthiourea
TL;DR: 3-(4-(Difluoromethoxy)phenyl)-1,1-diethylthiourea (CAS 398995-97-6) is a chemical compound with molecular formula C12H16F2N2OS and molecular weight 274.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(difluoromethoxy)phenyl]-1,1-diethylthiourea
Also Known As: 1-[4-(difluoromethoxy)phenyl]-3,3-diethylthiourea, 3-(4-(difluoromethoxy)phenyl)-1,1-diethylthiourea, 3-[4-(difluoromethoxy)phenyl]-1,1-diethylthiourea, N'-[4-(Difluoromethoxy)phenyl]-N,N-diethylthiourea, F0828-0025
| Molecular Formula | C12H16F2N2OS |
|---|---|
| Molecular Weight | 274.10 g/mol |
| LogP | 3.3266 |
| Topological Polar Surface Area | 24.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 274.09515 |
| Heavy Atoms | 18 |
| Complexity | 380.16873 |
Chemical Identifiers
| CAS Number | 398995-97-6 |
|---|---|
| SMILES | CCN(CC)C(=S)NC1=CC=C(C=C1)OC(F)F |
Product Overview
3-(4-(Difluoromethoxy)phenyl)-1,1-diethylthiourea (CAS 398995-97-6), with molecular formula C12H16F2N2OS and molecular weight 274.10 g/mol. IUPAC: 3-[4-(difluoromethoxy)phenyl]-1,1-diethylthiourea.
Chemical Property Profile of 3-(4-(Difluoromethoxy)phenyl)-1,1-diethylthiourea
Property Insights of 3-(4-(Difluoromethoxy)phenyl)-1,1-diethylthiourea
The XLogP value of 3.3266 indicates that 3-(4-(Difluoromethoxy)phenyl)-1,1-diethylthiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.5 Ų, 3-(4-(Difluoromethoxy)phenyl)-1,1-diethylthiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-(Difluoromethoxy)phenyl)-1,1-diethylthiourea has 1 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 3-(4-(Difluoromethoxy)phenyl)-1,1-diethylthiourea?
The CAS number of 3-(4-(Difluoromethoxy)phenyl)-1,1-diethylthiourea is 398995-97-6.
What is the molecular formula of 3-(4-(Difluoromethoxy)phenyl)-1,1-diethylthiourea?
The molecular formula of 3-(4-(Difluoromethoxy)phenyl)-1,1-diethylthiourea is C12H16F2N2OS.
What is the molecular weight of 3-(4-(Difluoromethoxy)phenyl)-1,1-diethylthiourea?
The molecular weight of 3-(4-(Difluoromethoxy)phenyl)-1,1-diethylthiourea is 274.10 g/mol.
Where can I buy 3-(4-(Difluoromethoxy)phenyl)-1,1-diethylthiourea?
You can request a quote for 3-(4-(Difluoromethoxy)phenyl)-1,1-diethylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-(Difluoromethoxy)phenyl)-1,1-diethylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-(Difluoromethoxy)phenyl)-1,1-diethylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.