METHYL 4-((N-((THIOXO((4-(TRIFLUOROMETHOXY)PHENYL)AMINO)METHYL)AMINO)CARBAMOYL)METHOXY)BENZOATE
TL;DR: METHYL 4-((N-((THIOXO((4-(TRIFLUOROMETHOXY)PHENYL)AMINO)METHYL)AMINO)CARBAMOYL)METHOXY)BENZOATE (CAS 1024213-48-6) is a chemical compound with molecular formula C18H16F3N3O5S and molecular weight 443.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[2-oxo-2-[2-[[4-(trifluoromethoxy)phenyl]carbamothioyl]hydrazinyl]ethoxy]benzoate
Also Known As: METHYL 4-((N-((THIOXO((4-(TRIFLUOROMETHOXY)PHENYL)AMINO)METHYL)AMINO)CARBAMOYL)METHOXY)BENZOATE, methyl 4-[2-oxo-2-[2-[[4-(trifluoromethoxy)phenyl]carbamothioyl]hydrazinyl]ethoxy]benzoate, Methyl 4-[[[4-(trifluoromethoxy)phenyl]thiocarbamoylamino]carbamoylmethoxy]benzoate, methyl 4-[2-oxo-2-[2-[[4-(trifluoromethoxy)phenyl]carbamothioyl]hydrazino]ethoxy]benzoate, METHYL 4-{[({[4-(TRIFLUOROMETHOXY)PHENYL]CARBAMOTHIOYL}AMINO)CARBAMOYL]METHOXY}BENZOATE
| Molecular Formula | C18H16F3N3O5S |
|---|---|
| Molecular Weight | 443.08 g/mol |
| LogP | 2.7684 |
| Topological Polar Surface Area | 97.92 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 443.07626 |
| Heavy Atoms | 30 |
| Complexity | 889.4351 |
Chemical Identifiers
| CAS Number | 1024213-48-6 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)OCC(=O)NNC(=S)NC2=CC=C(C=C2)OC(F)(F)F |
Product Overview
METHYL 4-((N-((THIOXO((4-(TRIFLUOROMETHOXY)PHENYL)AMINO)METHYL)AMINO)CARBAMOYL)METHOXY)BENZOATE (CAS 1024213-48-6), with molecular formula C18H16F3N3O5S and molecular weight 443.08 g/mol. IUPAC: methyl 4-[2-oxo-2-[2-[[4-(trifluoromethoxy)phenyl]carbamothioyl]hydrazinyl]ethoxy]benzoate.
Chemical Property Profile of METHYL 4-((N-((THIOXO((4-(TRIFLUOROMETHOXY)PHENYL)AMINO)METHYL)AMINO)CARBAMOYL)METHOXY)BENZOATE
Property Insights of METHYL 4-((N-((THIOXO((4-(TRIFLUOROMETHOXY)PHENYL)AMINO)METHYL)AMINO)CARBAMOYL)METHOXY)BENZOATE
The XLogP value of 2.7684 suggests moderate lipophilicity, balancing water solubility and membrane permeability for METHYL 4-((N-((THIOXO((4-(TRIFLUOROMETHOXY)PHENYL)AMINO)METHYL)AMINO)CARBAMOYL)METHOXY)BENZOATE. The TPSA of 97.92 Ų falls within the moderate polarity range, balancing permeability and solubility for METHYL 4-((N-((THIOXO((4-(TRIFLUOROMETHOXY)PHENYL)AMINO)METHYL)AMINO)CARBAMOYL)METHOXY)BENZOATE. Following Lipinski's Rule of Five, METHYL 4-((N-((THIOXO((4-(TRIFLUOROMETHOXY)PHENYL)AMINO)METHYL)AMINO)CARBAMOYL)METHOXY)BENZOATE has 3 hydrogen bond donor(s) and 6 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 4-((N-((THIOXO((4-(TRIFLUOROMETHOXY)PHENYL)AMINO)METHYL)AMINO)CARBAMOYL)METHOXY)BENZOATE?
The CAS number of METHYL 4-((N-((THIOXO((4-(TRIFLUOROMETHOXY)PHENYL)AMINO)METHYL)AMINO)CARBAMOYL)METHOXY)BENZOATE is 1024213-48-6.
What is the molecular formula of METHYL 4-((N-((THIOXO((4-(TRIFLUOROMETHOXY)PHENYL)AMINO)METHYL)AMINO)CARBAMOYL)METHOXY)BENZOATE?
The molecular formula of METHYL 4-((N-((THIOXO((4-(TRIFLUOROMETHOXY)PHENYL)AMINO)METHYL)AMINO)CARBAMOYL)METHOXY)BENZOATE is C18H16F3N3O5S.
What is the molecular weight of METHYL 4-((N-((THIOXO((4-(TRIFLUOROMETHOXY)PHENYL)AMINO)METHYL)AMINO)CARBAMOYL)METHOXY)BENZOATE?
The molecular weight of METHYL 4-((N-((THIOXO((4-(TRIFLUOROMETHOXY)PHENYL)AMINO)METHYL)AMINO)CARBAMOYL)METHOXY)BENZOATE is 443.08 g/mol.
Where can I buy METHYL 4-((N-((THIOXO((4-(TRIFLUOROMETHOXY)PHENYL)AMINO)METHYL)AMINO)CARBAMOYL)METHOXY)BENZOATE?
You can request a quote for METHYL 4-((N-((THIOXO((4-(TRIFLUOROMETHOXY)PHENYL)AMINO)METHYL)AMINO)CARBAMOYL)METHOXY)BENZOATE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for METHYL 4-((N-((THIOXO((4-(TRIFLUOROMETHOXY)PHENYL)AMINO)METHYL)AMINO)CARBAMOYL)METHOXY)BENZOATE?
Yes, KEHONG BIO provides custom synthesis services for METHYL 4-((N-((THIOXO((4-(TRIFLUOROMETHOXY)PHENYL)AMINO)METHYL)AMINO)CARBAMOYL)METHOXY)BENZOATE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.