CBKinase1_008843
TL;DR: CBKinase1_008843 (CAS 825599-32-4) is a chemical compound with molecular formula C23H19N5O3S and molecular weight 445.12 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-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: CBKinase1_008843, CBKinase1_021243, BRD-K58574997-001-01-3, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
| Molecular Formula | C23H19N5O3S |
|---|---|
| Molecular Weight | 445.12 g/mol |
| LogP | 3.8313 |
| Topological Polar Surface Area | 91.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 445.12085 |
| Heavy Atoms | 32 |
| Complexity | 1231.1327 |
Chemical Identifiers
| CAS Number | 825599-32-4 |
|---|---|
| SMILES | C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CN=CC=C5 |
Product Overview
CBKinase1_008843 (CAS 825599-32-4), with molecular formula C23H19N5O3S and molecular weight 445.12 g/mol. IUPAC: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of CBKinase1_008843
Property Insights of CBKinase1_008843
The XLogP value of 3.8313 indicates that CBKinase1_008843 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.16 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_008843. Following Lipinski's Rule of Five, CBKinase1_008843 has 1 hydrogen bond donor(s) and 7 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_008843?
The CAS number of CBKinase1_008843 is 825599-32-4.
What is the molecular formula of CBKinase1_008843?
The molecular formula of CBKinase1_008843 is C23H19N5O3S.
What is the molecular weight of CBKinase1_008843?
The molecular weight of CBKinase1_008843 is 445.12 g/mol.
Where can I buy CBKinase1_008843?
You can request a quote for CBKinase1_008843 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_008843?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_008843 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.