Ethyl 2-(formylamino)-7-oxo-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
TL;DR: Ethyl 2-(formylamino)-7-oxo-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 96334-41-7) is a chemical compound with molecular formula C12H13NO4S and molecular weight 267.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-formamido-7-oxo-5,6-dihydro-4H-1-benzothiophene-3-carboxylate
Also Known As: BAS 01022369, ethyl 2-formamido-7-oxo-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-(formylamino)-7-oxo-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-formamido-7-oxo-5,6-dihydro-4H-1-benzothiophene-3-carboxylate, Ethyl 2-formamido-7-oxo-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
| Molecular Formula | C12H13NO4S |
|---|---|
| Molecular Weight | 267.06 g/mol |
| LogP | 2.0121 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 267.05652 |
| Heavy Atoms | 18 |
| Complexity | 506.42084 |
Chemical Identifiers
| CAS Number | 96334-41-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2=O)NC=O |
Product Overview
Ethyl 2-(formylamino)-7-oxo-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 96334-41-7), with molecular formula C12H13NO4S and molecular weight 267.06 g/mol. IUPAC: ethyl 2-formamido-7-oxo-5,6-dihydro-4H-1-benzothiophene-3-carboxylate.
Chemical Property Profile of Ethyl 2-(formylamino)-7-oxo-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Property Insights of Ethyl 2-(formylamino)-7-oxo-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
The XLogP value of 2.0121 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(formylamino)-7-oxo-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate. The TPSA of 72.47 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(formylamino)-7-oxo-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 2-(formylamino)-7-oxo-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate has 1 hydrogen bond donor(s) and 5 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 Ethyl 2-(formylamino)-7-oxo-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The CAS number of Ethyl 2-(formylamino)-7-oxo-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 96334-41-7.
What is the molecular formula of Ethyl 2-(formylamino)-7-oxo-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular formula of Ethyl 2-(formylamino)-7-oxo-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is C12H13NO4S.
What is the molecular weight of Ethyl 2-(formylamino)-7-oxo-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular weight of Ethyl 2-(formylamino)-7-oxo-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 267.06 g/mol.
Where can I buy Ethyl 2-(formylamino)-7-oxo-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
You can request a quote for Ethyl 2-(formylamino)-7-oxo-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(formylamino)-7-oxo-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(formylamino)-7-oxo-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.