2-amino-N-benzyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
TL;DR: 2-amino-N-benzyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CAS 878657-11-5) is a chemical compound with molecular formula C16H18N2OS and molecular weight 286.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-N-benzyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: 2-amino-N-benzyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, BAS 06339137, 2-(3-chlorophenyl)-1-pyridin-3-ylethanone, 2-Amino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid benzylamide, 3-(3,5-Dimethyl-piperidin-1-yl)-propylamine
| Molecular Formula | C16H18N2OS |
|---|---|
| Molecular Weight | 286.11 g/mol |
| LogP | 3.1391 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 286.11398 |
| Heavy Atoms | 20 |
| Complexity | 618.90717 |
Chemical Identifiers
| CAS Number | 878657-11-5 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)N)C(=O)NCC3=CC=CC=C3 |
Product Overview
2-amino-N-benzyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CAS 878657-11-5), with molecular formula C16H18N2OS and molecular weight 286.11 g/mol. IUPAC: 2-amino-N-benzyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of 2-amino-N-benzyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Property Insights of 2-amino-N-benzyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
The XLogP value of 3.1391 indicates that 2-amino-N-benzyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.12 Ų, 2-amino-N-benzyl-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-benzyl-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-benzyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The CAS number of 2-amino-N-benzyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is 878657-11-5.
What is the molecular formula of 2-amino-N-benzyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The molecular formula of 2-amino-N-benzyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is C16H18N2OS.
What is the molecular weight of 2-amino-N-benzyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The molecular weight of 2-amino-N-benzyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is 286.11 g/mol.
Where can I buy 2-amino-N-benzyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
You can request a quote for 2-amino-N-benzyl-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-benzyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 2-amino-N-benzyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.