CBKinase1_007602
TL;DR: CBKinase1_007602 (CAS 553661-60-2) is a chemical compound with molecular formula C20H20N4O3S and molecular weight 396.13 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-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: CBKinase1_007602, CBKinase1_020002, BAS 03930826, BRD-K98101536-001-01-5, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
| Molecular Formula | C20H20N4O3S |
|---|---|
| Molecular Weight | 396.13 g/mol |
| LogP | 3.467 |
| Topological Polar Surface Area | 78.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 396.1256 |
| Heavy Atoms | 28 |
| Complexity | 974.8371 |
Chemical Identifiers
| CAS Number | 553661-60-2 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC3=C(C=C2)OCCO3)C4=CC=CC=C4 |
Product Overview
CBKinase1_007602 (CAS 553661-60-2), with molecular formula C20H20N4O3S and molecular weight 396.13 g/mol. IUPAC: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of CBKinase1_007602
Property Insights of CBKinase1_007602
The XLogP value of 3.467 indicates that CBKinase1_007602 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.27 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_007602. Following Lipinski's Rule of Five, CBKinase1_007602 has 1 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 CBKinase1_007602?
The CAS number of CBKinase1_007602 is 553661-60-2.
What is the molecular formula of CBKinase1_007602?
The molecular formula of CBKinase1_007602 is C20H20N4O3S.
What is the molecular weight of CBKinase1_007602?
The molecular weight of CBKinase1_007602 is 396.13 g/mol.
Where can I buy CBKinase1_007602?
You can request a quote for CBKinase1_007602 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_007602?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_007602 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.