2-amino-N-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
TL;DR: 2-amino-N-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CAS 733044-92-3) is a chemical compound with molecular formula C13H20N2OS and molecular weight 252.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-N-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: 2-amino-N-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 2-Amino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid butylamide, 2-Amino-N-butyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide, 2-amino-N-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide, (2-amino(4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl))-N-butylcarboxamide
| Molecular Formula | C13H20N2OS |
|---|---|
| Molecular Weight | 252.13 g/mol |
| LogP | 2.739 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 252.12964 |
| Heavy Atoms | 17 |
| Complexity | 411.79712 |
Chemical Identifiers
| CAS Number | 733044-92-3 |
|---|---|
| SMILES | CCCCNC(=O)C1=C(SC2=C1CCCC2)N |
Product Overview
2-amino-N-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CAS 733044-92-3), with molecular formula C13H20N2OS and molecular weight 252.13 g/mol. IUPAC: 2-amino-N-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of 2-amino-N-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Property Insights of 2-amino-N-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
The XLogP value of 2.739 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-amino-N-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide. With a topological polar surface area (TPSA) of 55.12 Ų, 2-amino-N-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-amino-N-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide 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-amino-N-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The CAS number of 2-amino-N-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is 733044-92-3.
What is the molecular formula of 2-amino-N-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The molecular formula of 2-amino-N-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is C13H20N2OS.
What is the molecular weight of 2-amino-N-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The molecular weight of 2-amino-N-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is 252.13 g/mol.
Where can I buy 2-amino-N-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
You can request a quote for 2-amino-N-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-amino-N-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 2-amino-N-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.