1-(3-Chloro-4-fluorophenyl)-3-(propanoylamino)thiourea
TL;DR: 1-(3-Chloro-4-fluorophenyl)-3-(propanoylamino)thiourea (CAS 669757-59-9) is a chemical compound with molecular formula C10H11ClFN3OS and molecular weight 275.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chloro-4-fluorophenyl)-3-(propanoylamino)thiourea
Also Known As: 1-(3-chloro-4-fluorophenyl)-3-(propanoylamino)thiourea, N-(3-chloro-4-fluorophenyl)-2-propanoylhydrazinecarbothioamide, N-({[(3-chloro-4-fluorophenyl)amino]thioxomethyl}amino)propanamide
| Molecular Formula | C10H11ClFN3OS |
|---|---|
| Molecular Weight | 275.03 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 | 275.02954 |
| Heavy Atoms | 17 |
| Complexity | 441.55923 |
Chemical Identifiers
| CAS Number | 669757-59-9 |
|---|---|
| SMILES | CCC(=O)NNC(=S)NC1=CC(=C(C=C1)F)Cl |
Product Overview
1-(3-Chloro-4-fluorophenyl)-3-(propanoylamino)thiourea (CAS 669757-59-9), with molecular formula C10H11ClFN3OS and molecular weight 275.03 g/mol. IUPAC: 1-(3-chloro-4-fluorophenyl)-3-(propanoylamino)thiourea.
Chemical Property Profile of 1-(3-Chloro-4-fluorophenyl)-3-(propanoylamino)thiourea
Property Insights of 1-(3-Chloro-4-fluorophenyl)-3-(propanoylamino)thiourea
The XLogP value of 2.2067 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Chloro-4-fluorophenyl)-3-(propanoylamino)thiourea. With a topological polar surface area (TPSA) of 53.16 Ų, 1-(3-Chloro-4-fluorophenyl)-3-(propanoylamino)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Chloro-4-fluorophenyl)-3-(propanoylamino)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-(propanoylamino)thiourea?
The CAS number of 1-(3-Chloro-4-fluorophenyl)-3-(propanoylamino)thiourea is 669757-59-9.
What is the molecular formula of 1-(3-Chloro-4-fluorophenyl)-3-(propanoylamino)thiourea?
The molecular formula of 1-(3-Chloro-4-fluorophenyl)-3-(propanoylamino)thiourea is C10H11ClFN3OS.
What is the molecular weight of 1-(3-Chloro-4-fluorophenyl)-3-(propanoylamino)thiourea?
The molecular weight of 1-(3-Chloro-4-fluorophenyl)-3-(propanoylamino)thiourea is 275.03 g/mol.
Where can I buy 1-(3-Chloro-4-fluorophenyl)-3-(propanoylamino)thiourea?
You can request a quote for 1-(3-Chloro-4-fluorophenyl)-3-(propanoylamino)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-(propanoylamino)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Chloro-4-fluorophenyl)-3-(propanoylamino)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.