2-Chloro-4-(4-morpholinylcarbothioyl)phenyl 2-fluorobenzoate
TL;DR: 2-Chloro-4-(4-morpholinylcarbothioyl)phenyl 2-fluorobenzoate (CAS 444081-28-1) is a chemical compound with molecular formula C18H15ClFNO3S and molecular weight 379.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-chloro-4-(morpholine-4-carbothioyl)phenyl] 2-fluorobenzoate
Also Known As: [2-chloro-4-(morpholine-4-carbothioyl)phenyl] 2-fluorobenzoate|2-chloro-4-(4-morpholinylcarbothioyl)phenyl 2-fluorobenzoate|2-chloro-4-(morpholine-4-carbonothioyl)phenyl 2-fluorobenzoate|2-chloro-4-(morpholin-4-ylcarbonothioyl)phenyl 2-fluorobenzoate|MLS001180474|REGID_for_CID_1021108|SMR000477393
| Molecular Formula | C18H15ClFNO3S |
|---|---|
| Molecular Weight | 379.04 g/mol |
| LogP | 3.706 |
| Topological Polar Surface Area | 38.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 379.04453 |
| Heavy Atoms | 25 |
| Complexity | 808.6582 |
Chemical Identifiers
| CAS Number | 444081-28-1 |
|---|---|
| SMILES | C1COCCN1C(=S)C2=CC(=C(C=C2)OC(=O)C3=CC=CC=C3F)Cl |
Product Overview
2-Chloro-4-(4-morpholinylcarbothioyl)phenyl 2-fluorobenzoate (CAS 444081-28-1), with molecular formula C18H15ClFNO3S and molecular weight 379.04 g/mol. IUPAC: [2-chloro-4-(morpholine-4-carbothioyl)phenyl] 2-fluorobenzoate.
Chemical Property Profile of 2-Chloro-4-(4-morpholinylcarbothioyl)phenyl 2-fluorobenzoate
Property Insights of 2-Chloro-4-(4-morpholinylcarbothioyl)phenyl 2-fluorobenzoate
The XLogP value of 3.706 indicates that 2-Chloro-4-(4-morpholinylcarbothioyl)phenyl 2-fluorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.77 Ų, 2-Chloro-4-(4-morpholinylcarbothioyl)phenyl 2-fluorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-4-(4-morpholinylcarbothioyl)phenyl 2-fluorobenzoate has 0 hydrogen bond donor(s) and 4 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 2-Chloro-4-(4-morpholinylcarbothioyl)phenyl 2-fluorobenzoate?
The CAS number of 2-Chloro-4-(4-morpholinylcarbothioyl)phenyl 2-fluorobenzoate is 444081-28-1.
What is the molecular formula of 2-Chloro-4-(4-morpholinylcarbothioyl)phenyl 2-fluorobenzoate?
The molecular formula of 2-Chloro-4-(4-morpholinylcarbothioyl)phenyl 2-fluorobenzoate is C18H15ClFNO3S.
What is the molecular weight of 2-Chloro-4-(4-morpholinylcarbothioyl)phenyl 2-fluorobenzoate?
The molecular weight of 2-Chloro-4-(4-morpholinylcarbothioyl)phenyl 2-fluorobenzoate is 379.04 g/mol.
Where can I buy 2-Chloro-4-(4-morpholinylcarbothioyl)phenyl 2-fluorobenzoate?
You can request a quote for 2-Chloro-4-(4-morpholinylcarbothioyl)phenyl 2-fluorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-4-(4-morpholinylcarbothioyl)phenyl 2-fluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-4-(4-morpholinylcarbothioyl)phenyl 2-fluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.