![1-[4-(Difluoromethoxy)phenyl]-3-[3-(dimethylamino)propyl]thiourea structure](/static/products/3989/398995-87-4.webp)
1-[4-(Difluoromethoxy)phenyl]-3-[3-(dimethylamino)propyl]thiourea
TL;DR: 1-[4-(Difluoromethoxy)phenyl]-3-[3-(dimethylamino)propyl]thiourea (CAS 398995-87-4) is a chemical compound with molecular formula C13H19F2N3OS and molecular weight 303.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(difluoromethoxy)phenyl]-3-[3-(dimethylamino)propyl]thiourea
Also Known As: 1-[4-(difluoromethoxy)phenyl]-3-[3-(dimethylamino)propyl]thiourea, 1-(4-(difluoromethoxy)phenyl)-3-(3-(dimethylamino)propyl)thiourea, F0828-0020, 3-[3-(p-difluoromethoxyphenyl)thioureido]-1-(dimethylamino)propane, 3-[4-(difluoromethoxy)phenyl]-1-(3-dimethylaminopropyl)thiourea
| Molecular Formula | C13H19F2N3OS |
|---|---|
| Molecular Weight | 303.12 g/mol |
| LogP | 2.5261 |
| Topological Polar Surface Area | 36.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 303.1217 |
| Heavy Atoms | 20 |
| Complexity | 412.5822 |
Chemical Identifiers
| CAS Number | 398995-87-4 |
|---|---|
| SMILES | CN(C)CCCNC(=S)NC1=CC=C(C=C1)OC(F)F |
Product Overview
1-[4-(Difluoromethoxy)phenyl]-3-[3-(dimethylamino)propyl]thiourea (CAS 398995-87-4), with molecular formula C13H19F2N3OS and molecular weight 303.12 g/mol. IUPAC: 1-[4-(difluoromethoxy)phenyl]-3-[3-(dimethylamino)propyl]thiourea.
Chemical Property Profile of 1-[4-(Difluoromethoxy)phenyl]-3-[3-(dimethylamino)propyl]thiourea
Property Insights of 1-[4-(Difluoromethoxy)phenyl]-3-[3-(dimethylamino)propyl]thiourea
The XLogP value of 2.5261 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[4-(Difluoromethoxy)phenyl]-3-[3-(dimethylamino)propyl]thiourea. With a topological polar surface area (TPSA) of 36.53 Ų, 1-[4-(Difluoromethoxy)phenyl]-3-[3-(dimethylamino)propyl]thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[4-(Difluoromethoxy)phenyl]-3-[3-(dimethylamino)propyl]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-[3-(dimethylamino)propyl]thiourea?
The CAS number of 1-[4-(Difluoromethoxy)phenyl]-3-[3-(dimethylamino)propyl]thiourea is 398995-87-4.
What is the molecular formula of 1-[4-(Difluoromethoxy)phenyl]-3-[3-(dimethylamino)propyl]thiourea?
The molecular formula of 1-[4-(Difluoromethoxy)phenyl]-3-[3-(dimethylamino)propyl]thiourea is C13H19F2N3OS.
What is the molecular weight of 1-[4-(Difluoromethoxy)phenyl]-3-[3-(dimethylamino)propyl]thiourea?
The molecular weight of 1-[4-(Difluoromethoxy)phenyl]-3-[3-(dimethylamino)propyl]thiourea is 303.12 g/mol.
Where can I buy 1-[4-(Difluoromethoxy)phenyl]-3-[3-(dimethylamino)propyl]thiourea?
You can request a quote for 1-[4-(Difluoromethoxy)phenyl]-3-[3-(dimethylamino)propyl]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-[3-(dimethylamino)propyl]thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-[4-(Difluoromethoxy)phenyl]-3-[3-(dimethylamino)propyl]thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.