1-(4-(Difluoromethoxy)phenyl)-3-(pyridin-3-ylmethyl)thiourea
TL;DR: 1-(4-(Difluoromethoxy)phenyl)-3-(pyridin-3-ylmethyl)thiourea (CAS 398995-91-0) is a chemical compound with molecular formula C14H13F2N3OS and molecular weight 309.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(difluoromethoxy)phenyl]-3-(pyridin-3-ylmethyl)thiourea
Also Known As: 1-(4-(difluoromethoxy)phenyl)-3-(pyridin-3-ylmethyl)thiourea, 1-[4-(difluoromethoxy)phenyl]-3-[(pyridin-3-yl)methyl]thiourea, 1-[4-(difluoromethoxy)phenyl]-3-(pyridin-3-ylmethyl)thiourea, 1-(p-difluoromethoxyphenyl)-3-[(3-pyridyl)methyl]thiourea
| Molecular Formula | C14H13F2N3OS |
|---|---|
| Molecular Weight | 309.07 g/mol |
| LogP | 3.1696 |
| Topological Polar Surface Area | 46.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 309.07474 |
| Heavy Atoms | 21 |
| Complexity | 578.53284 |
Chemical Identifiers
| CAS Number | 398995-91-0 |
|---|---|
| SMILES | C1=CC(=CN=C1)CNC(=S)NC2=CC=C(C=C2)OC(F)F |
Product Overview
1-(4-(Difluoromethoxy)phenyl)-3-(pyridin-3-ylmethyl)thiourea (CAS 398995-91-0), with molecular formula C14H13F2N3OS and molecular weight 309.07 g/mol. IUPAC: 1-[4-(difluoromethoxy)phenyl]-3-(pyridin-3-ylmethyl)thiourea.
Chemical Property Profile of 1-(4-(Difluoromethoxy)phenyl)-3-(pyridin-3-ylmethyl)thiourea
Property Insights of 1-(4-(Difluoromethoxy)phenyl)-3-(pyridin-3-ylmethyl)thiourea
The XLogP value of 3.1696 indicates that 1-(4-(Difluoromethoxy)phenyl)-3-(pyridin-3-ylmethyl)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.18 Ų, 1-(4-(Difluoromethoxy)phenyl)-3-(pyridin-3-ylmethyl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-(Difluoromethoxy)phenyl)-3-(pyridin-3-ylmethyl)thiourea has 2 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-(4-(Difluoromethoxy)phenyl)-3-(pyridin-3-ylmethyl)thiourea?
The CAS number of 1-(4-(Difluoromethoxy)phenyl)-3-(pyridin-3-ylmethyl)thiourea is 398995-91-0.
What is the molecular formula of 1-(4-(Difluoromethoxy)phenyl)-3-(pyridin-3-ylmethyl)thiourea?
The molecular formula of 1-(4-(Difluoromethoxy)phenyl)-3-(pyridin-3-ylmethyl)thiourea is C14H13F2N3OS.
What is the molecular weight of 1-(4-(Difluoromethoxy)phenyl)-3-(pyridin-3-ylmethyl)thiourea?
The molecular weight of 1-(4-(Difluoromethoxy)phenyl)-3-(pyridin-3-ylmethyl)thiourea is 309.07 g/mol.
Where can I buy 1-(4-(Difluoromethoxy)phenyl)-3-(pyridin-3-ylmethyl)thiourea?
You can request a quote for 1-(4-(Difluoromethoxy)phenyl)-3-(pyridin-3-ylmethyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-(Difluoromethoxy)phenyl)-3-(pyridin-3-ylmethyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-(Difluoromethoxy)phenyl)-3-(pyridin-3-ylmethyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.