Ano1-IN-1
TL;DR: Ano1-IN-1 (CAS 407587-01-3) is a chemical compound with molecular formula C18H28N2O2S and molecular weight 336.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-tert-butyl-2-(2,2-dimethylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: ANO1-IN-1, BAS 03716523, 6-(tert-Butyl)-2-pivalamido-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide, 6-TERT-BUTYL-2-(2,2-DIMETHYLPROPANAMIDO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE, 6-(tert-butyl)-2-(2,2-dimethylpropanoylamino)-4,5,6,7-tetrahydrobenzo[b]thioph ene-3-carboxamide
| Molecular Formula | C18H28N2O2S |
|---|---|
| Molecular Weight | 336.19 g/mol |
| LogP | 3.9826 |
| Topological Polar Surface Area | 72.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 336.18716 |
| Heavy Atoms | 23 |
| Complexity | 632.67236 |
Chemical Identifiers
| CAS Number | 407587-01-3 |
|---|---|
| SMILES | CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C(C)(C)C |
Product Overview
Ano1-IN-1 (CAS 407587-01-3), with molecular formula C18H28N2O2S and molecular weight 336.19 g/mol. IUPAC: 6-tert-butyl-2-(2,2-dimethylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of Ano1-IN-1
Property Insights of Ano1-IN-1
The XLogP value of 3.9826 indicates that Ano1-IN-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.19 Ų falls within the moderate polarity range, balancing permeability and solubility for Ano1-IN-1. Following Lipinski's Rule of Five, Ano1-IN-1 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 Ano1-IN-1?
The CAS number of Ano1-IN-1 is 407587-01-3.
What is the molecular formula of Ano1-IN-1?
The molecular formula of Ano1-IN-1 is C18H28N2O2S.
What is the molecular weight of Ano1-IN-1?
The molecular weight of Ano1-IN-1 is 336.19 g/mol.
Where can I buy Ano1-IN-1?
You can request a quote for Ano1-IN-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ano1-IN-1?
Yes, KEHONG BIO provides custom synthesis services for Ano1-IN-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.