![Methyl 4-{[(4-fluorobenzyl)carbamothioyl]amino}benzoate structure](/static/products/7082/708283-74-3.webp)
Methyl 4-{[(4-fluorobenzyl)carbamothioyl]amino}benzoate
TL;DR: Methyl 4-{[(4-fluorobenzyl)carbamothioyl]amino}benzoate (CAS 708283-74-3) is a chemical compound with molecular formula C16H15FN2O2S and molecular weight 318.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(4-fluorophenyl)methylcarbamothioylamino]benzoate
Also Known As: methyl 4-(3-(4-fluorobenzyl)thioureido)benzoate, methyl 4-{[(4-fluorobenzyl)carbamothioyl]amino}benzoate, methyl 4-[(4-fluorophenyl)methylcarbamothioylamino]benzoate, METHYL 4-({[(4-FLUOROBENZYL)AMINO]CARBOTHIOYL}AMINO)BENZOATE, methyl 4-[({[(4-fluorophenyl)methyl]amino}thioxomethyl)amino]benzoate
| Molecular Formula | C16H15FN2O2S |
|---|---|
| Molecular Weight | 318.08 g/mol |
| LogP | 3.0989 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 318.08383 |
| Heavy Atoms | 22 |
| Complexity | 656.85095 |
Chemical Identifiers
| CAS Number | 708283-74-3 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=S)NCC2=CC=C(C=C2)F |
Product Overview
Methyl 4-{[(4-fluorobenzyl)carbamothioyl]amino}benzoate (CAS 708283-74-3), with molecular formula C16H15FN2O2S and molecular weight 318.08 g/mol. IUPAC: methyl 4-[(4-fluorophenyl)methylcarbamothioylamino]benzoate.
Chemical Property Profile of Methyl 4-{[(4-fluorobenzyl)carbamothioyl]amino}benzoate
Property Insights of Methyl 4-{[(4-fluorobenzyl)carbamothioyl]amino}benzoate
The XLogP value of 3.0989 indicates that Methyl 4-{[(4-fluorobenzyl)carbamothioyl]amino}benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.36 Ų, Methyl 4-{[(4-fluorobenzyl)carbamothioyl]amino}benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-{[(4-fluorobenzyl)carbamothioyl]amino}benzoate 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 Methyl 4-{[(4-fluorobenzyl)carbamothioyl]amino}benzoate?
The CAS number of Methyl 4-{[(4-fluorobenzyl)carbamothioyl]amino}benzoate is 708283-74-3.
What is the molecular formula of Methyl 4-{[(4-fluorobenzyl)carbamothioyl]amino}benzoate?
The molecular formula of Methyl 4-{[(4-fluorobenzyl)carbamothioyl]amino}benzoate is C16H15FN2O2S.
What is the molecular weight of Methyl 4-{[(4-fluorobenzyl)carbamothioyl]amino}benzoate?
The molecular weight of Methyl 4-{[(4-fluorobenzyl)carbamothioyl]amino}benzoate is 318.08 g/mol.
Where can I buy Methyl 4-{[(4-fluorobenzyl)carbamothioyl]amino}benzoate?
You can request a quote for Methyl 4-{[(4-fluorobenzyl)carbamothioyl]amino}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-{[(4-fluorobenzyl)carbamothioyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-{[(4-fluorobenzyl)carbamothioyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.