![Butyl 4-(4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamido)benzoate structure](/static/products/4288/428825-47-2.webp)
Butyl 4-(4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamido)benzoate
TL;DR: Butyl 4-(4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamido)benzoate (CAS 428825-47-2) is a chemical compound with molecular formula C20H23NO3S and molecular weight 357.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)benzoate
Also Known As: F1118-0140, butyl 4-(4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamido)benzoate, BUTYL 4-(4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-AMIDO)BENZOATE, butyl 4-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)benzoate, butyl 4-(4,5,6,7-tetrahydrobenzo[b]thiophen-3-ylcarbonylamino)benzoate
| Molecular Formula | C20H23NO3S |
|---|---|
| Molecular Weight | 357.14 g/mol |
| LogP | 4.8361 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 357.13986 |
| Heavy Atoms | 25 |
| Complexity | 748.8018 |
Chemical Identifiers
| CAS Number | 428825-47-2 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CSC3=C2CCCC3 |
Product Overview
Butyl 4-(4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamido)benzoate (CAS 428825-47-2), with molecular formula C20H23NO3S and molecular weight 357.14 g/mol. IUPAC: butyl 4-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)benzoate.
Chemical Property Profile of Butyl 4-(4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamido)benzoate
Property Insights of Butyl 4-(4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamido)benzoate
The XLogP value of 4.8361 indicates that Butyl 4-(4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamido)benzoate 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 4-(4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamido)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl 4-(4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamido)benzoate 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 4-(4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamido)benzoate?
The CAS number of Butyl 4-(4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamido)benzoate is 428825-47-2.
What is the molecular formula of Butyl 4-(4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamido)benzoate?
The molecular formula of Butyl 4-(4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamido)benzoate is C20H23NO3S.
What is the molecular weight of Butyl 4-(4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamido)benzoate?
The molecular weight of Butyl 4-(4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamido)benzoate is 357.14 g/mol.
Where can I buy Butyl 4-(4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamido)benzoate?
You can request a quote for Butyl 4-(4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamido)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 4-(4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 4-(4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.