2-(pyrrolidine-1-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
TL;DR: 2-(pyrrolidine-1-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid (CAS 903203-89-4) is a chemical compound with molecular formula C14H18N2O3S and molecular weight 294.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(pyrrolidine-1-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
Also Known As: 2-(pyrrolidine-1-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid, 2-(pyrrolidine-1-carbonylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic Acid, 2-(pyrrolidine-1-carboxamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid, 2-[(pyrrolidin-1-ylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
| Molecular Formula | C14H18N2O3S |
|---|---|
| Molecular Weight | 294.10 g/mol |
| LogP | 2.9528 |
| Topological Polar Surface Area | 69.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 294.10382 |
| Heavy Atoms | 20 |
| Complexity | 546.8591 |
Chemical Identifiers
| CAS Number | 903203-89-4 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)N3CCCC3)C(=O)O |
Product Overview
2-(pyrrolidine-1-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid (CAS 903203-89-4), with molecular formula C14H18N2O3S and molecular weight 294.10 g/mol. IUPAC: 2-(pyrrolidine-1-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid.
Chemical Property Profile of 2-(pyrrolidine-1-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
Property Insights of 2-(pyrrolidine-1-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
The XLogP value of 2.9528 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(pyrrolidine-1-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid. The TPSA of 69.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(pyrrolidine-1-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid. Following Lipinski's Rule of Five, 2-(pyrrolidine-1-carbonylamino)-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-(pyrrolidine-1-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid?
The CAS number of 2-(pyrrolidine-1-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid is 903203-89-4.
What is the molecular formula of 2-(pyrrolidine-1-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid?
The molecular formula of 2-(pyrrolidine-1-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid is C14H18N2O3S.
What is the molecular weight of 2-(pyrrolidine-1-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid?
The molecular weight of 2-(pyrrolidine-1-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid is 294.10 g/mol.
Where can I buy 2-(pyrrolidine-1-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid?
You can request a quote for 2-(pyrrolidine-1-carbonylamino)-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-(pyrrolidine-1-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(pyrrolidine-1-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.