![2-[(Methylamino)carbonyl]benzyl 2-thiophenecarboxylate structure](/static/products/6989/698986-76-4.webp)
2-[(Methylamino)carbonyl]benzyl 2-thiophenecarboxylate
TL;DR: 2-[(Methylamino)carbonyl]benzyl 2-thiophenecarboxylate (CAS 698986-76-4) is a chemical compound with molecular formula C14H13NO3S and molecular weight 275.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(methylcarbamoyl)phenyl]methyl thiophene-2-carboxylate
Also Known As: 2-[(methylamino)carbonyl]benzyl 2-thiophenecarboxylate, 2-(methylcarbamoyl)benzyl thiophene-2-carboxylate, AO-080/43378243, [2-(methylcarbamoyl)phenyl]methyl thiophene-2-carboxylate, 2-[(methylamino)carbonyl]benzyl thiophene-2-carboxylate
| Molecular Formula | C14H13NO3S |
|---|---|
| Molecular Weight | 275.06 g/mol |
| LogP | 2.4647 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 275.0616 |
| Heavy Atoms | 19 |
| Complexity | 578.13684 |
Chemical Identifiers
| CAS Number | 698986-76-4 |
|---|---|
| SMILES | CNC(=O)C1=CC=CC=C1COC(=O)C2=CC=CS2 |
Product Overview
2-[(Methylamino)carbonyl]benzyl 2-thiophenecarboxylate (CAS 698986-76-4), with molecular formula C14H13NO3S and molecular weight 275.06 g/mol. IUPAC: [2-(methylcarbamoyl)phenyl]methyl thiophene-2-carboxylate.
Chemical Property Profile of 2-[(Methylamino)carbonyl]benzyl 2-thiophenecarboxylate
Property Insights of 2-[(Methylamino)carbonyl]benzyl 2-thiophenecarboxylate
The XLogP value of 2.4647 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(Methylamino)carbonyl]benzyl 2-thiophenecarboxylate. With a topological polar surface area (TPSA) of 55.4 Ų, 2-[(Methylamino)carbonyl]benzyl 2-thiophenecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(Methylamino)carbonyl]benzyl 2-thiophenecarboxylate 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 2-[(Methylamino)carbonyl]benzyl 2-thiophenecarboxylate?
The CAS number of 2-[(Methylamino)carbonyl]benzyl 2-thiophenecarboxylate is 698986-76-4.
What is the molecular formula of 2-[(Methylamino)carbonyl]benzyl 2-thiophenecarboxylate?
The molecular formula of 2-[(Methylamino)carbonyl]benzyl 2-thiophenecarboxylate is C14H13NO3S.
What is the molecular weight of 2-[(Methylamino)carbonyl]benzyl 2-thiophenecarboxylate?
The molecular weight of 2-[(Methylamino)carbonyl]benzyl 2-thiophenecarboxylate is 275.06 g/mol.
Where can I buy 2-[(Methylamino)carbonyl]benzyl 2-thiophenecarboxylate?
You can request a quote for 2-[(Methylamino)carbonyl]benzyl 2-thiophenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(Methylamino)carbonyl]benzyl 2-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-[(Methylamino)carbonyl]benzyl 2-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.