JT3MA6UH4W
TL;DR: JT3MA6UH4W (CAS 172998-76-4) is a chemical compound with molecular formula C15H11ClF3NO3S and molecular weight 377.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trifluoroethyl 2-chloro-5-[(2-methylfuran-3-carbothioyl)amino]benzoate
Also Known As: UC80, UC 80, Furancarbothioanilide deriv., NCI60_013064, Benzoic acid, 2,2,2-trifluoroethyl ester
| Molecular Formula | C15H11ClF3NO3S |
|---|---|
| Molecular Weight | 377.01 g/mol |
| LogP | 4.74812 |
| Topological Polar Surface Area | 51.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 377.01004 |
| Heavy Atoms | 24 |
| Complexity | 773.56506 |
Chemical Identifiers
| CAS Number | 172998-76-4 |
|---|---|
| SMILES | CC1=C(C=CO1)C(=S)NC2=CC(=C(C=C2)Cl)C(=O)OCC(F)(F)F |
Product Overview
JT3MA6UH4W (CAS 172998-76-4), with molecular formula C15H11ClF3NO3S and molecular weight 377.01 g/mol. IUPAC: 2,2,2-trifluoroethyl 2-chloro-5-[(2-methylfuran-3-carbothioyl)amino]benzoate.
Chemical Property Profile of JT3MA6UH4W
Property Insights of JT3MA6UH4W
The XLogP value of 4.74812 indicates that JT3MA6UH4W is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.47 Ų, JT3MA6UH4W exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, JT3MA6UH4W has 1 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 JT3MA6UH4W?
The CAS number of JT3MA6UH4W is 172998-76-4.
What is the molecular formula of JT3MA6UH4W?
The molecular formula of JT3MA6UH4W is C15H11ClF3NO3S.
What is the molecular weight of JT3MA6UH4W?
The molecular weight of JT3MA6UH4W is 377.01 g/mol.
Where can I buy JT3MA6UH4W?
You can request a quote for JT3MA6UH4W directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for JT3MA6UH4W?
Yes, KEHONG BIO provides custom synthesis services for JT3MA6UH4W and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.