CBKinase1_008871
TL;DR: CBKinase1_008871 (CAS 712282-94-5) is a chemical compound with molecular formula C22H18N6O3S and molecular weight 446.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: CBKinase1_008871, CBKinase1_021271, BRD-K75259444-001-01-9, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[4-phenyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
| Molecular Formula | C22H18N6O3S |
|---|---|
| Molecular Weight | 446.12 g/mol |
| LogP | 3.2263 |
| Topological Polar Surface Area | 104.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 446.11612 |
| Heavy Atoms | 32 |
| Complexity | 1233.167 |
Chemical Identifiers
| CAS Number | 712282-94-5 |
|---|---|
| SMILES | C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=NC=CN=C5 |
Product Overview
CBKinase1_008871 (CAS 712282-94-5), with molecular formula C22H18N6O3S and molecular weight 446.12 g/mol. IUPAC: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of CBKinase1_008871
Property Insights of CBKinase1_008871
The XLogP value of 3.2263 indicates that CBKinase1_008871 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.05 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_008871. Following Lipinski's Rule of Five, CBKinase1_008871 has 1 hydrogen bond donor(s) and 8 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_008871?
The CAS number of CBKinase1_008871 is 712282-94-5.
What is the molecular formula of CBKinase1_008871?
The molecular formula of CBKinase1_008871 is C22H18N6O3S.
What is the molecular weight of CBKinase1_008871?
The molecular weight of CBKinase1_008871 is 446.12 g/mol.
Where can I buy CBKinase1_008871?
You can request a quote for CBKinase1_008871 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_008871?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_008871 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.