CBKinase1_005306
TL;DR: CBKinase1_005306 (CAS 690643-24-4) is a chemical compound with molecular formula C12H12N4O3S and molecular weight 292.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
Also Known As: CBKinase1_005306, CBKinase1_017706, VU0618226-1, F3394-0785, 2-((5-amino-1H-1,2,4-triazol-3-yl)thio)-1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)ethanone
| Molecular Formula | C12H12N4O3S |
|---|---|
| Molecular Weight | 292.06 g/mol |
| LogP | 1.1331 |
| Topological Polar Surface Area | 103.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 292.06302 |
| Heavy Atoms | 20 |
| Complexity | 643.3827 |
Chemical Identifiers
| CAS Number | 690643-24-4 |
|---|---|
| SMILES | C1COC2=C(O1)C=CC(=C2)C(=O)CSC3=NNC(=N3)N |
Product Overview
CBKinase1_005306 (CAS 690643-24-4), with molecular formula C12H12N4O3S and molecular weight 292.06 g/mol. IUPAC: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone.
Chemical Property Profile of CBKinase1_005306
Property Insights of CBKinase1_005306
The XLogP value of 1.1331 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_005306. The TPSA of 103.12 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_005306. Following Lipinski's Rule of Five, CBKinase1_005306 has 2 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_005306?
The CAS number of CBKinase1_005306 is 690643-24-4.
What is the molecular formula of CBKinase1_005306?
The molecular formula of CBKinase1_005306 is C12H12N4O3S.
What is the molecular weight of CBKinase1_005306?
The molecular weight of CBKinase1_005306 is 292.06 g/mol.
Where can I buy CBKinase1_005306?
You can request a quote for CBKinase1_005306 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_005306?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_005306 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.