RefChem:449966
TL;DR: RefChem:449966 (CAS 609794-36-7) is a chemical compound with molecular formula C23H23N3O3S and molecular weight 421.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-phenoxyacetyl)amino]-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: BAS 06259662, 2-[(2-phenoxyacetyl)amino]-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 2-[(phenoxyacetyl)amino]-N-(3-pyridinylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 2-(2-Phenoxy-acetylamino)-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid (pyridin-3-ylmethyl)-amide, 2-((Phenoxyacetyl)amino)-N-(3-pyridinylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
| Molecular Formula | C23H23N3O3S |
|---|---|
| Molecular Weight | 421.15 g/mol |
| LogP | 3.9694 |
| Topological Polar Surface Area | 80.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 421.14603 |
| Heavy Atoms | 30 |
| Complexity | 1018.93243 |
Chemical Identifiers
| CAS Number | 609794-36-7 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)COC3=CC=CC=C3)C(=O)NCC4=CN=CC=C4 |
Product Overview
RefChem:449966 (CAS 609794-36-7), with molecular formula C23H23N3O3S and molecular weight 421.15 g/mol. IUPAC: 2-[(2-phenoxyacetyl)amino]-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of RefChem:449966
Property Insights of RefChem:449966
The XLogP value of 3.9694 indicates that RefChem:449966 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.32 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:449966. Following Lipinski's Rule of Five, RefChem:449966 has 2 hydrogen bond donor(s) and 5 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 RefChem:449966?
The CAS number of RefChem:449966 is 609794-36-7.
What is the molecular formula of RefChem:449966?
The molecular formula of RefChem:449966 is C23H23N3O3S.
What is the molecular weight of RefChem:449966?
The molecular weight of RefChem:449966 is 421.15 g/mol.
Where can I buy RefChem:449966?
You can request a quote for RefChem:449966 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:449966?
Yes, KEHONG BIO provides custom synthesis services for RefChem:449966 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.