1-(3-Chloro-4-fluorophenyl)-3-(2-morpholin-4-ylethyl)thiourea
TL;DR: 1-(3-Chloro-4-fluorophenyl)-3-(2-morpholin-4-ylethyl)thiourea (CAS 455296-48-7) is a chemical compound with molecular formula C13H17ClFN3OS and molecular weight 317.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chloro-4-fluorophenyl)-3-(2-morpholin-4-ylethyl)thiourea
Also Known As: 1-(3-chloro-4-fluorophenyl)-3-(2-morpholin-4-ylethyl)thiourea, N-(3-chloro-4-fluorophenyl)-N'-[2-(4-morpholinyl)ethyl]thiourea, 1-(3-chloro-4-fluorophenyl)-3-[2-(morpholin-4-yl)ethyl]thiourea, N-(3-CHLORO-4-FLUOROPHENYL)-N'-(2-MORPHOLINOETHYL)THIOUREA
| Molecular Formula | C13H17ClFN3OS |
|---|---|
| Molecular Weight | 317.08 g/mol |
| LogP | 2.0977 |
| Topological Polar Surface Area | 36.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 317.07648 |
| Heavy Atoms | 20 |
| Complexity | 468.92953 |
Chemical Identifiers
| CAS Number | 455296-48-7 |
|---|---|
| SMILES | C1COCCN1CCNC(=S)NC2=CC(=C(C=C2)F)Cl |
Product Overview
1-(3-Chloro-4-fluorophenyl)-3-(2-morpholin-4-ylethyl)thiourea (CAS 455296-48-7), with molecular formula C13H17ClFN3OS and molecular weight 317.08 g/mol. IUPAC: 1-(3-chloro-4-fluorophenyl)-3-(2-morpholin-4-ylethyl)thiourea.
Chemical Property Profile of 1-(3-Chloro-4-fluorophenyl)-3-(2-morpholin-4-ylethyl)thiourea
Property Insights of 1-(3-Chloro-4-fluorophenyl)-3-(2-morpholin-4-ylethyl)thiourea
The XLogP value of 2.0977 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Chloro-4-fluorophenyl)-3-(2-morpholin-4-ylethyl)thiourea. With a topological polar surface area (TPSA) of 36.53 Ų, 1-(3-Chloro-4-fluorophenyl)-3-(2-morpholin-4-ylethyl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Chloro-4-fluorophenyl)-3-(2-morpholin-4-ylethyl)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-(3-Chloro-4-fluorophenyl)-3-(2-morpholin-4-ylethyl)thiourea?
The CAS number of 1-(3-Chloro-4-fluorophenyl)-3-(2-morpholin-4-ylethyl)thiourea is 455296-48-7.
What is the molecular formula of 1-(3-Chloro-4-fluorophenyl)-3-(2-morpholin-4-ylethyl)thiourea?
The molecular formula of 1-(3-Chloro-4-fluorophenyl)-3-(2-morpholin-4-ylethyl)thiourea is C13H17ClFN3OS.
What is the molecular weight of 1-(3-Chloro-4-fluorophenyl)-3-(2-morpholin-4-ylethyl)thiourea?
The molecular weight of 1-(3-Chloro-4-fluorophenyl)-3-(2-morpholin-4-ylethyl)thiourea is 317.08 g/mol.
Where can I buy 1-(3-Chloro-4-fluorophenyl)-3-(2-morpholin-4-ylethyl)thiourea?
You can request a quote for 1-(3-Chloro-4-fluorophenyl)-3-(2-morpholin-4-ylethyl)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-(2-morpholin-4-ylethyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Chloro-4-fluorophenyl)-3-(2-morpholin-4-ylethyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.