2-(Hexanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
TL;DR: 2-(Hexanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid (CAS 342390-32-3) is a chemical compound with molecular formula C15H21NO3S and molecular weight 295.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(hexanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
Also Known As: AE-848/34079047, 2-(hexanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid, 2-hexanamido-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid, 2-(hexanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic Acid
| Molecular Formula | C15H21NO3S |
|---|---|
| Molecular Weight | 295.12 g/mol |
| LogP | 3.8439 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 295.1242 |
| Heavy Atoms | 20 |
| Complexity | 507.46207 |
Chemical Identifiers
| CAS Number | 342390-32-3 |
|---|---|
| SMILES | CCCCCC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)O |
Product Overview
2-(Hexanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid (CAS 342390-32-3), with molecular formula C15H21NO3S and molecular weight 295.12 g/mol. IUPAC: 2-(hexanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid.
Chemical Property Profile of 2-(Hexanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
Property Insights of 2-(Hexanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
The XLogP value of 3.8439 indicates that 2-(Hexanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Hexanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid. Following Lipinski's Rule of Five, 2-(Hexanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid has 2 hydrogen bond donor(s) and 3 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 2-(Hexanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid?
The CAS number of 2-(Hexanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid is 342390-32-3.
What is the molecular formula of 2-(Hexanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid?
The molecular formula of 2-(Hexanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid is C15H21NO3S.
What is the molecular weight of 2-(Hexanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid?
The molecular weight of 2-(Hexanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid is 295.12 g/mol.
Where can I buy 2-(Hexanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid?
You can request a quote for 2-(Hexanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Hexanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(Hexanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.