![methyl 2-[4-(benzoylcarbamothioylamino)phenyl]-3,3,3-trifluoro-2-hydroxypropanoate structure](/static/products/3551/355148-02-6.webp)
methyl 2-[4-(benzoylcarbamothioylamino)phenyl]-3,3,3-trifluoro-2-hydroxypropanoate
TL;DR: methyl 2-[4-(benzoylcarbamothioylamino)phenyl]-3,3,3-trifluoro-2-hydroxypropanoate (CAS 355148-02-6) is a chemical compound with molecular formula C18H15F3N2O4S and molecular weight 412.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-(benzoylcarbamothioylamino)phenyl]-3,3,3-trifluoro-2-hydroxypropanoate
Also Known As: methyl 2-[4-(benzoylcarbamothioylamino)phenyl]-3,3,3-trifluoro-2-hydroxypropanoate, methyl 3,3,3-trifluoro-2-hydroxy-2-(4-{[(phenylcarbonyl)carbamothioyl]amino}phenyl)propanoate, methyl 2-(4-(3-benzoylthioureido)phenyl)-3,3,3-trifluoro-2-hydroxypropanoate, methyl 2-(4-{[(benzoylamino)carbonothioyl]amino}phenyl)-3,3,3-trifluoro-2-hydroxypropanoate, methyl 3,3,3-trifluoro-2-hydroxy-2-(4-{[(phenylcarbonylamino)thioxomethyl]amin o}phenyl)propanoate
| Molecular Formula | C18H15F3N2O4S |
|---|---|
| Molecular Weight | 412.07 g/mol |
| LogP | 2.7363 |
| Topological Polar Surface Area | 87.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 412.07047 |
| Heavy Atoms | 28 |
| Complexity | 872.6495 |
Chemical Identifiers
| CAS Number | 355148-02-6 |
|---|---|
| SMILES | COC(=O)C(C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2)(C(F)(F)F)O |
Product Overview
methyl 2-[4-(benzoylcarbamothioylamino)phenyl]-3,3,3-trifluoro-2-hydroxypropanoate (CAS 355148-02-6), with molecular formula C18H15F3N2O4S and molecular weight 412.07 g/mol. IUPAC: methyl 2-[4-(benzoylcarbamothioylamino)phenyl]-3,3,3-trifluoro-2-hydroxypropanoate.
Chemical Property Profile of methyl 2-[4-(benzoylcarbamothioylamino)phenyl]-3,3,3-trifluoro-2-hydroxypropanoate
Property Insights of methyl 2-[4-(benzoylcarbamothioylamino)phenyl]-3,3,3-trifluoro-2-hydroxypropanoate
The XLogP value of 2.7363 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-[4-(benzoylcarbamothioylamino)phenyl]-3,3,3-trifluoro-2-hydroxypropanoate. The TPSA of 87.66 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-[4-(benzoylcarbamothioylamino)phenyl]-3,3,3-trifluoro-2-hydroxypropanoate. Following Lipinski's Rule of Five, methyl 2-[4-(benzoylcarbamothioylamino)phenyl]-3,3,3-trifluoro-2-hydroxypropanoate has 3 hydrogen bond donor(s) and 5 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 methyl 2-[4-(benzoylcarbamothioylamino)phenyl]-3,3,3-trifluoro-2-hydroxypropanoate?
The CAS number of methyl 2-[4-(benzoylcarbamothioylamino)phenyl]-3,3,3-trifluoro-2-hydroxypropanoate is 355148-02-6.
What is the molecular formula of methyl 2-[4-(benzoylcarbamothioylamino)phenyl]-3,3,3-trifluoro-2-hydroxypropanoate?
The molecular formula of methyl 2-[4-(benzoylcarbamothioylamino)phenyl]-3,3,3-trifluoro-2-hydroxypropanoate is C18H15F3N2O4S.
What is the molecular weight of methyl 2-[4-(benzoylcarbamothioylamino)phenyl]-3,3,3-trifluoro-2-hydroxypropanoate?
The molecular weight of methyl 2-[4-(benzoylcarbamothioylamino)phenyl]-3,3,3-trifluoro-2-hydroxypropanoate is 412.07 g/mol.
Where can I buy methyl 2-[4-(benzoylcarbamothioylamino)phenyl]-3,3,3-trifluoro-2-hydroxypropanoate?
You can request a quote for methyl 2-[4-(benzoylcarbamothioylamino)phenyl]-3,3,3-trifluoro-2-hydroxypropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-[4-(benzoylcarbamothioylamino)phenyl]-3,3,3-trifluoro-2-hydroxypropanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-[4-(benzoylcarbamothioylamino)phenyl]-3,3,3-trifluoro-2-hydroxypropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.