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Methyl (4-{[(thiophen-2-ylmethyl)carbamothioyl]amino}phenyl)acetate
TL;DR: Methyl (4-{[(thiophen-2-ylmethyl)carbamothioyl]amino}phenyl)acetate (CAS 516457-27-5) is a chemical compound with molecular formula C15H16N2O2S2 and molecular weight 320.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-(thiophen-2-ylmethylcarbamothioylamino)phenyl]acetate
Also Known As: methyl (4-{[(thiophen-2-ylmethyl)carbamothioyl]amino}phenyl)acetate, methyl 2-(4-(3-(thiophen-2-ylmethyl)thioureido)phenyl)acetate, methyl 2-[4-(thiophen-2-ylmethylcarbamothioylamino)phenyl]acetate, methyl 2-[4-({[(2-thienylmethyl)amino]thioxomethyl}amino)phenyl]acetate, METHYL 2-[4-({[(2-THIENYLMETHYL)AMINO]CARBOTHIOYL}AMINO)PHENYL]ACETATE
| Molecular Formula | C15H16N2O2S2 |
|---|---|
| Molecular Weight | 320.07 g/mol |
| LogP | 2.9502 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 320.0653 |
| Heavy Atoms | 21 |
| Complexity | 594.646 |
Chemical Identifiers
| CAS Number | 516457-27-5 |
|---|---|
| SMILES | COC(=O)CC1=CC=C(C=C1)NC(=S)NCC2=CC=CS2 |
Product Overview
Methyl (4-{[(thiophen-2-ylmethyl)carbamothioyl]amino}phenyl)acetate (CAS 516457-27-5), with molecular formula C15H16N2O2S2 and molecular weight 320.07 g/mol. IUPAC: methyl 2-[4-(thiophen-2-ylmethylcarbamothioylamino)phenyl]acetate.
Chemical Property Profile of Methyl (4-{[(thiophen-2-ylmethyl)carbamothioyl]amino}phenyl)acetate
Property Insights of Methyl (4-{[(thiophen-2-ylmethyl)carbamothioyl]amino}phenyl)acetate
The XLogP value of 2.9502 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl (4-{[(thiophen-2-ylmethyl)carbamothioyl]amino}phenyl)acetate. With a topological polar surface area (TPSA) of 50.36 Ų, Methyl (4-{[(thiophen-2-ylmethyl)carbamothioyl]amino}phenyl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl (4-{[(thiophen-2-ylmethyl)carbamothioyl]amino}phenyl)acetate has 2 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 Methyl (4-{[(thiophen-2-ylmethyl)carbamothioyl]amino}phenyl)acetate?
The CAS number of Methyl (4-{[(thiophen-2-ylmethyl)carbamothioyl]amino}phenyl)acetate is 516457-27-5.
What is the molecular formula of Methyl (4-{[(thiophen-2-ylmethyl)carbamothioyl]amino}phenyl)acetate?
The molecular formula of Methyl (4-{[(thiophen-2-ylmethyl)carbamothioyl]amino}phenyl)acetate is C15H16N2O2S2.
What is the molecular weight of Methyl (4-{[(thiophen-2-ylmethyl)carbamothioyl]amino}phenyl)acetate?
The molecular weight of Methyl (4-{[(thiophen-2-ylmethyl)carbamothioyl]amino}phenyl)acetate is 320.07 g/mol.
Where can I buy Methyl (4-{[(thiophen-2-ylmethyl)carbamothioyl]amino}phenyl)acetate?
You can request a quote for Methyl (4-{[(thiophen-2-ylmethyl)carbamothioyl]amino}phenyl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl (4-{[(thiophen-2-ylmethyl)carbamothioyl]amino}phenyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (4-{[(thiophen-2-ylmethyl)carbamothioyl]amino}phenyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.