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N-benzyl-N'-[3-chloro-4-(difluoromethoxy)phenyl]thiourea
TL;DR: N-benzyl-N'-[3-chloro-4-(difluoromethoxy)phenyl]thiourea (CAS 479512-08-8) is a chemical compound with molecular formula C15H13ClF2N2OS and molecular weight 342.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-3-[3-chloro-4-(difluoromethoxy)phenyl]thiourea
Also Known As: N-benzyl-N'-[3-chloro-4-(difluoromethoxy)phenyl]thiourea, 1-benzyl-3-[3-chloro-4-(difluoromethoxy)phenyl]thiourea
| Molecular Formula | C15H13ClF2N2OS |
|---|---|
| Molecular Weight | 342.04 g/mol |
| LogP | 4.428 |
| Topological Polar Surface Area | 33.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 342.04053 |
| Heavy Atoms | 22 |
| Complexity | 640.6945 |
Chemical Identifiers
| CAS Number | 479512-08-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=S)NC2=CC(=C(C=C2)OC(F)F)Cl |
Product Overview
N-benzyl-N'-[3-chloro-4-(difluoromethoxy)phenyl]thiourea (CAS 479512-08-8), with molecular formula C15H13ClF2N2OS and molecular weight 342.04 g/mol. IUPAC: 1-benzyl-3-[3-chloro-4-(difluoromethoxy)phenyl]thiourea.
Chemical Property Profile of N-benzyl-N'-[3-chloro-4-(difluoromethoxy)phenyl]thiourea
Property Insights of N-benzyl-N'-[3-chloro-4-(difluoromethoxy)phenyl]thiourea
The XLogP value of 4.428 indicates that N-benzyl-N'-[3-chloro-4-(difluoromethoxy)phenyl]thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.29 Ų, N-benzyl-N'-[3-chloro-4-(difluoromethoxy)phenyl]thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-benzyl-N'-[3-chloro-4-(difluoromethoxy)phenyl]thiourea 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 N-benzyl-N'-[3-chloro-4-(difluoromethoxy)phenyl]thiourea?
The CAS number of N-benzyl-N'-[3-chloro-4-(difluoromethoxy)phenyl]thiourea is 479512-08-8.
What is the molecular formula of N-benzyl-N'-[3-chloro-4-(difluoromethoxy)phenyl]thiourea?
The molecular formula of N-benzyl-N'-[3-chloro-4-(difluoromethoxy)phenyl]thiourea is C15H13ClF2N2OS.
What is the molecular weight of N-benzyl-N'-[3-chloro-4-(difluoromethoxy)phenyl]thiourea?
The molecular weight of N-benzyl-N'-[3-chloro-4-(difluoromethoxy)phenyl]thiourea is 342.04 g/mol.
Where can I buy N-benzyl-N'-[3-chloro-4-(difluoromethoxy)phenyl]thiourea?
You can request a quote for N-benzyl-N'-[3-chloro-4-(difluoromethoxy)phenyl]thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzyl-N'-[3-chloro-4-(difluoromethoxy)phenyl]thiourea?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-N'-[3-chloro-4-(difluoromethoxy)phenyl]thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.