![butyl 2-[(cyclobutylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate structure](/static/products/4450/445018-04-2.webp)
butyl 2-[(cyclobutylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
TL;DR: butyl 2-[(cyclobutylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 445018-04-2) is a chemical compound with molecular formula C18H25NO3S and molecular weight 335.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2-(cyclobutanecarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: butyl 2-[(cyclobutylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, butyl 2-(cyclobutanecarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, butyl 2-(cyclobutylcarbonylamino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbox ylate, BUTYL 2-CYCLOBUTANEAMIDO-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE
| Molecular Formula | C18H25NO3S |
|---|---|
| Molecular Weight | 335.16 g/mol |
| LogP | 4.3224 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 335.15552 |
| Heavy Atoms | 23 |
| Complexity | 589.33234 |
Chemical Identifiers
| CAS Number | 445018-04-2 |
|---|---|
| SMILES | CCCCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3CCC3 |
Product Overview
butyl 2-[(cyclobutylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 445018-04-2), with molecular formula C18H25NO3S and molecular weight 335.16 g/mol. IUPAC: butyl 2-(cyclobutanecarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of butyl 2-[(cyclobutylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Property Insights of butyl 2-[(cyclobutylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
The XLogP value of 4.3224 indicates that butyl 2-[(cyclobutylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-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, butyl 2-[(cyclobutylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, butyl 2-[(cyclobutylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate 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 butyl 2-[(cyclobutylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The CAS number of butyl 2-[(cyclobutylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 445018-04-2.
What is the molecular formula of butyl 2-[(cyclobutylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular formula of butyl 2-[(cyclobutylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is C18H25NO3S.
What is the molecular weight of butyl 2-[(cyclobutylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular weight of butyl 2-[(cyclobutylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 335.16 g/mol.
Where can I buy butyl 2-[(cyclobutylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
You can request a quote for butyl 2-[(cyclobutylcarbonyl)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 butyl 2-[(cyclobutylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for butyl 2-[(cyclobutylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.