1-(3-Chloro-4-fluorophenyl)-3-(cyclopropanecarbonylamino)thiourea
TL;DR: 1-(3-Chloro-4-fluorophenyl)-3-(cyclopropanecarbonylamino)thiourea (CAS 708246-68-8) is a chemical compound with molecular formula C11H11ClFN3OS and molecular weight 287.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chloro-4-fluorophenyl)-3-(cyclopropanecarbonylamino)thiourea
Also Known As: 1-(3-chloro-4-fluorophenyl)-3-(cyclopropanecarbonylamino)thiourea, N-(3-chloro-4-fluorophenyl)-2-(cyclopropylcarbonyl)hydrazinecarbothioamide, N-({[(3-chloro-4-fluorophenyl)amino]thioxomethyl}amino)cyclopropylcarboxamide
| Molecular Formula | C11H11ClFN3OS |
|---|---|
| Molecular Weight | 287.03 g/mol |
| LogP | 2.2067 |
| Topological Polar Surface Area | 53.16 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 287.02954 |
| Heavy Atoms | 18 |
| Complexity | 493.1767 |
Chemical Identifiers
| CAS Number | 708246-68-8 |
|---|---|
| SMILES | C1CC1C(=O)NNC(=S)NC2=CC(=C(C=C2)F)Cl |
Product Overview
1-(3-Chloro-4-fluorophenyl)-3-(cyclopropanecarbonylamino)thiourea (CAS 708246-68-8), with molecular formula C11H11ClFN3OS and molecular weight 287.03 g/mol. IUPAC: 1-(3-chloro-4-fluorophenyl)-3-(cyclopropanecarbonylamino)thiourea.
Chemical Property Profile of 1-(3-Chloro-4-fluorophenyl)-3-(cyclopropanecarbonylamino)thiourea
Property Insights of 1-(3-Chloro-4-fluorophenyl)-3-(cyclopropanecarbonylamino)thiourea
The XLogP value of 2.2067 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Chloro-4-fluorophenyl)-3-(cyclopropanecarbonylamino)thiourea. With a topological polar surface area (TPSA) of 53.16 Ų, 1-(3-Chloro-4-fluorophenyl)-3-(cyclopropanecarbonylamino)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Chloro-4-fluorophenyl)-3-(cyclopropanecarbonylamino)thiourea has 3 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 1-(3-Chloro-4-fluorophenyl)-3-(cyclopropanecarbonylamino)thiourea?
The CAS number of 1-(3-Chloro-4-fluorophenyl)-3-(cyclopropanecarbonylamino)thiourea is 708246-68-8.
What is the molecular formula of 1-(3-Chloro-4-fluorophenyl)-3-(cyclopropanecarbonylamino)thiourea?
The molecular formula of 1-(3-Chloro-4-fluorophenyl)-3-(cyclopropanecarbonylamino)thiourea is C11H11ClFN3OS.
What is the molecular weight of 1-(3-Chloro-4-fluorophenyl)-3-(cyclopropanecarbonylamino)thiourea?
The molecular weight of 1-(3-Chloro-4-fluorophenyl)-3-(cyclopropanecarbonylamino)thiourea is 287.03 g/mol.
Where can I buy 1-(3-Chloro-4-fluorophenyl)-3-(cyclopropanecarbonylamino)thiourea?
You can request a quote for 1-(3-Chloro-4-fluorophenyl)-3-(cyclopropanecarbonylamino)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Chloro-4-fluorophenyl)-3-(cyclopropanecarbonylamino)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Chloro-4-fluorophenyl)-3-(cyclopropanecarbonylamino)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.