![ethyl 2-(5-bromothiophene-2-carboxamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate structure](/static/products/3912/391224-22-9.webp)
ethyl 2-(5-bromothiophene-2-carboxamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
TL;DR: ethyl 2-(5-bromothiophene-2-carboxamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (CAS 391224-22-9) is a chemical compound with molecular formula C16H16BrNO3S2 and molecular weight 412.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(5-bromothiophene-2-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: ethyl 2-(5-bromothiophene-2-carboxamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, F0161-0420, ethyl 2-(5-bromothiophene-2-amido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-[(5-bromothiophene-2-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C16H16BrNO3S2 |
|---|---|
| Molecular Weight | 412.98 g/mol |
| LogP | 4.8799 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 412.9755 |
| Heavy Atoms | 23 |
| Complexity | 750.5895 |
Chemical Identifiers
| CAS Number | 391224-22-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=C(S3)Br |
Product Overview
ethyl 2-(5-bromothiophene-2-carboxamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (CAS 391224-22-9), with molecular formula C16H16BrNO3S2 and molecular weight 412.98 g/mol. IUPAC: ethyl 2-[(5-bromothiophene-2-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of ethyl 2-(5-bromothiophene-2-carboxamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
Property Insights of ethyl 2-(5-bromothiophene-2-carboxamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
The XLogP value of 4.8799 indicates that ethyl 2-(5-bromothiophene-2-carboxamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, ethyl 2-(5-bromothiophene-2-carboxamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 2-(5-bromothiophene-2-carboxamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-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-(5-bromothiophene-2-carboxamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The CAS number of ethyl 2-(5-bromothiophene-2-carboxamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is 391224-22-9.
What is the molecular formula of ethyl 2-(5-bromothiophene-2-carboxamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The molecular formula of ethyl 2-(5-bromothiophene-2-carboxamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is C16H16BrNO3S2.
What is the molecular weight of ethyl 2-(5-bromothiophene-2-carboxamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The molecular weight of ethyl 2-(5-bromothiophene-2-carboxamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is 412.98 g/mol.
Where can I buy ethyl 2-(5-bromothiophene-2-carboxamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
You can request a quote for ethyl 2-(5-bromothiophene-2-carboxamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-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-(5-bromothiophene-2-carboxamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(5-bromothiophene-2-carboxamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.