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2-[(2,6-Difluorophenyl)amino]-2-oxoethyl 3-thiopheneacetate
TL;DR: 2-[(2,6-Difluorophenyl)amino]-2-oxoethyl 3-thiopheneacetate (CAS 380190-56-7) is a chemical compound with molecular formula C14H11F2NO3S and molecular weight 311.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(2,6-difluoroanilino)-2-oxoethyl] 2-thiophen-3-ylacetate
Also Known As: AB00710807-01, 2-[(2,6-Difluorophenyl)amino]-2-oxoethyl 3-thiopheneacetate, 2-(2,6-Difluoroanilino)-2-oxoethyl (thiophen-3-yl)acetate, [2-(2,6-difluoroanilino)-2-oxoethyl] 2-thiophen-3-ylacetate
| Molecular Formula | C14H11F2NO3S |
|---|---|
| Molecular Weight | 311.04 g/mol |
| LogP | 2.7507 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 311.0428 |
| Heavy Atoms | 21 |
| Complexity | 623.4236 |
Chemical Identifiers
| CAS Number | 380190-56-7 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)F)NC(=O)COC(=O)CC2=CSC=C2)F |
Product Overview
2-[(2,6-Difluorophenyl)amino]-2-oxoethyl 3-thiopheneacetate (CAS 380190-56-7), with molecular formula C14H11F2NO3S and molecular weight 311.04 g/mol. IUPAC: [2-(2,6-difluoroanilino)-2-oxoethyl] 2-thiophen-3-ylacetate.
Chemical Property Profile of 2-[(2,6-Difluorophenyl)amino]-2-oxoethyl 3-thiopheneacetate
Property Insights of 2-[(2,6-Difluorophenyl)amino]-2-oxoethyl 3-thiopheneacetate
The XLogP value of 2.7507 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(2,6-Difluorophenyl)amino]-2-oxoethyl 3-thiopheneacetate. With a topological polar surface area (TPSA) of 55.4 Ų, 2-[(2,6-Difluorophenyl)amino]-2-oxoethyl 3-thiopheneacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(2,6-Difluorophenyl)amino]-2-oxoethyl 3-thiopheneacetate 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-[(2,6-Difluorophenyl)amino]-2-oxoethyl 3-thiopheneacetate?
The CAS number of 2-[(2,6-Difluorophenyl)amino]-2-oxoethyl 3-thiopheneacetate is 380190-56-7.
What is the molecular formula of 2-[(2,6-Difluorophenyl)amino]-2-oxoethyl 3-thiopheneacetate?
The molecular formula of 2-[(2,6-Difluorophenyl)amino]-2-oxoethyl 3-thiopheneacetate is C14H11F2NO3S.
What is the molecular weight of 2-[(2,6-Difluorophenyl)amino]-2-oxoethyl 3-thiopheneacetate?
The molecular weight of 2-[(2,6-Difluorophenyl)amino]-2-oxoethyl 3-thiopheneacetate is 311.04 g/mol.
Where can I buy 2-[(2,6-Difluorophenyl)amino]-2-oxoethyl 3-thiopheneacetate?
You can request a quote for 2-[(2,6-Difluorophenyl)amino]-2-oxoethyl 3-thiopheneacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(2,6-Difluorophenyl)amino]-2-oxoethyl 3-thiopheneacetate?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2,6-Difluorophenyl)amino]-2-oxoethyl 3-thiopheneacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.