3-(4-(Difluoromethoxy)phenyl)-1,1-dipropylthiourea
TL;DR: 3-(4-(Difluoromethoxy)phenyl)-1,1-dipropylthiourea (CAS 398995-99-8) is a chemical compound with molecular formula C14H20F2N2OS and molecular weight 302.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(difluoromethoxy)phenyl]-1,1-dipropylthiourea
Also Known As: 1-[4-(difluoromethoxy)phenyl]-3,3-dipropylthiourea, 3-(4-(difluoromethoxy)phenyl)-1,1-dipropylthiourea, 3-[4-(difluoromethoxy)phenyl]-1,1-dipropylthiourea, F0828-0026
| Molecular Formula | C14H20F2N2OS |
|---|---|
| Molecular Weight | 302.13 g/mol |
| LogP | 4.1068 |
| Topological Polar Surface Area | 24.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 302.12643 |
| Heavy Atoms | 20 |
| Complexity | 406.13986 |
Chemical Identifiers
| CAS Number | 398995-99-8 |
|---|---|
| SMILES | CCCN(CCC)C(=S)NC1=CC=C(C=C1)OC(F)F |
Product Overview
3-(4-(Difluoromethoxy)phenyl)-1,1-dipropylthiourea (CAS 398995-99-8), with molecular formula C14H20F2N2OS and molecular weight 302.13 g/mol. IUPAC: 3-[4-(difluoromethoxy)phenyl]-1,1-dipropylthiourea.
Chemical Property Profile of 3-(4-(Difluoromethoxy)phenyl)-1,1-dipropylthiourea
Property Insights of 3-(4-(Difluoromethoxy)phenyl)-1,1-dipropylthiourea
The XLogP value of 4.1068 indicates that 3-(4-(Difluoromethoxy)phenyl)-1,1-dipropylthiourea 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-dipropylthiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-(Difluoromethoxy)phenyl)-1,1-dipropylthiourea 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-dipropylthiourea?
The CAS number of 3-(4-(Difluoromethoxy)phenyl)-1,1-dipropylthiourea is 398995-99-8.
What is the molecular formula of 3-(4-(Difluoromethoxy)phenyl)-1,1-dipropylthiourea?
The molecular formula of 3-(4-(Difluoromethoxy)phenyl)-1,1-dipropylthiourea is C14H20F2N2OS.
What is the molecular weight of 3-(4-(Difluoromethoxy)phenyl)-1,1-dipropylthiourea?
The molecular weight of 3-(4-(Difluoromethoxy)phenyl)-1,1-dipropylthiourea is 302.13 g/mol.
Where can I buy 3-(4-(Difluoromethoxy)phenyl)-1,1-dipropylthiourea?
You can request a quote for 3-(4-(Difluoromethoxy)phenyl)-1,1-dipropylthiourea 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-dipropylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-(Difluoromethoxy)phenyl)-1,1-dipropylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.