CBKinase1_002584
TL;DR: CBKinase1_002584 (CAS 442872-57-3) is a chemical compound with molecular formula C20H19N3O2S2 and molecular weight 397.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(pyridin-3-ylmethyl)-2-(thiophene-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: CBKinase1_002584, CBKinase1_014984, BAS 06259877, N-(3-pyridinylmethyl)-2-[(2-thienylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, BRD-K80476633-001-01-3
| Molecular Formula | C20H19N3O2S2 |
|---|---|
| Molecular Weight | 397.09 g/mol |
| LogP | 4.2657 |
| Topological Polar Surface Area | 71.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 397.09186 |
| Heavy Atoms | 27 |
| Complexity | 949.2795 |
Chemical Identifiers
| CAS Number | 442872-57-3 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=CS3)C(=O)NCC4=CN=CC=C4 |
Product Overview
CBKinase1_002584 (CAS 442872-57-3), with molecular formula C20H19N3O2S2 and molecular weight 397.09 g/mol. IUPAC: N-(pyridin-3-ylmethyl)-2-(thiophene-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of CBKinase1_002584
Property Insights of CBKinase1_002584
The XLogP value of 4.2657 indicates that CBKinase1_002584 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.09 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_002584. Following Lipinski's Rule of Five, CBKinase1_002584 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 CBKinase1_002584?
The CAS number of CBKinase1_002584 is 442872-57-3.
What is the molecular formula of CBKinase1_002584?
The molecular formula of CBKinase1_002584 is C20H19N3O2S2.
What is the molecular weight of CBKinase1_002584?
The molecular weight of CBKinase1_002584 is 397.09 g/mol.
Where can I buy CBKinase1_002584?
You can request a quote for CBKinase1_002584 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_002584?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_002584 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.