RefChem:449305
TL;DR: RefChem:449305 (CAS 609796-11-4) is a chemical compound with molecular formula C22H20N4O4S and molecular weight 436.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-nitrobenzoyl)amino]-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: CBKinase1_002601, CBKinase1_015001, SALOR-INT L434787-1EA, BRD-K50681182-001-01-9, 2-[(4-nitrobenzoyl)amino]-N-(3-pyridinylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
| Molecular Formula | C22H20N4O4S |
|---|---|
| Molecular Weight | 436.12 g/mol |
| LogP | 4.1124 |
| Topological Polar Surface Area | 114.23 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 436.1205 |
| Heavy Atoms | 31 |
| Complexity | 1126.4176 |
Chemical Identifiers
| CAS Number | 609796-11-4 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)NCC4=CN=CC=C4 |
Product Overview
RefChem:449305 (CAS 609796-11-4), with molecular formula C22H20N4O4S and molecular weight 436.12 g/mol. IUPAC: 2-[(4-nitrobenzoyl)amino]-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of RefChem:449305
Property Insights of RefChem:449305
The XLogP value of 4.1124 indicates that RefChem:449305 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.23 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:449305. Following Lipinski's Rule of Five, RefChem:449305 has 2 hydrogen bond donor(s) and 6 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:449305?
The CAS number of RefChem:449305 is 609796-11-4.
What is the molecular formula of RefChem:449305?
The molecular formula of RefChem:449305 is C22H20N4O4S.
What is the molecular weight of RefChem:449305?
The molecular weight of RefChem:449305 is 436.12 g/mol.
Where can I buy RefChem:449305?
You can request a quote for RefChem:449305 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:449305?
Yes, KEHONG BIO provides custom synthesis services for RefChem:449305 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.