![sec-butyl 2-[(5-bromo-2-furoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate structure](/static/products/4449/444925-02-4.webp)
sec-butyl 2-[(5-bromo-2-furoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
TL;DR: sec-butyl 2-[(5-bromo-2-furoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 444925-02-4) is a chemical compound with molecular formula C18H20BrNO4S and molecular weight 425.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butan-2-yl 2-[(5-bromofuran-2-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: sec-butyl 2-[(5-bromo-2-furoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, butan-2-yl 2-[(5-bromofuran-2-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, butan-2-yl 2-{[(5-bromofuran-2-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, sec-butyl 2-(5-bromofuran-2-carboxamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, SEC-BUTYL 2-{[(5-BROMO-2-FURYL)CARBONYL]AMINO}-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE
| Molecular Formula | C18H20BrNO4S |
|---|---|
| Molecular Weight | 425.03 g/mol |
| LogP | 5.19 |
| Topological Polar Surface Area | 68.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 425.02963 |
| Heavy Atoms | 25 |
| Complexity | 795.09644 |
Chemical Identifiers
| CAS Number | 444925-02-4 |
|---|---|
| SMILES | CCC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=C(O3)Br |
Product Overview
sec-butyl 2-[(5-bromo-2-furoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 444925-02-4), with molecular formula C18H20BrNO4S and molecular weight 425.03 g/mol. IUPAC: butan-2-yl 2-[(5-bromofuran-2-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of sec-butyl 2-[(5-bromo-2-furoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Property Insights of sec-butyl 2-[(5-bromo-2-furoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
The XLogP value of 5.19 indicates that sec-butyl 2-[(5-bromo-2-furoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.54 Ų falls within the moderate polarity range, balancing permeability and solubility for sec-butyl 2-[(5-bromo-2-furoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate. Following Lipinski's Rule of Five, sec-butyl 2-[(5-bromo-2-furoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of sec-butyl 2-[(5-bromo-2-furoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The CAS number of sec-butyl 2-[(5-bromo-2-furoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 444925-02-4.
What is the molecular formula of sec-butyl 2-[(5-bromo-2-furoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular formula of sec-butyl 2-[(5-bromo-2-furoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is C18H20BrNO4S.
What is the molecular weight of sec-butyl 2-[(5-bromo-2-furoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular weight of sec-butyl 2-[(5-bromo-2-furoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 425.03 g/mol.
Where can I buy sec-butyl 2-[(5-bromo-2-furoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
You can request a quote for sec-butyl 2-[(5-bromo-2-furoyl)amino]-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 sec-butyl 2-[(5-bromo-2-furoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for sec-butyl 2-[(5-bromo-2-furoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.