CBKinase1_005421
TL;DR: CBKinase1_005421 (CAS 690961-29-6) is a chemical compound with molecular formula C13H12N2O3S2 and molecular weight 308.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone
Also Known As: CBKinase1_005421, CBKinase1_017821, VU0618196-1, F3394-0671, 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethan-1-one
| Molecular Formula | C13H12N2O3S2 |
|---|---|
| Molecular Weight | 308.03 g/mol |
| LogP | 2.59272 |
| Topological Polar Surface Area | 61.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 308.02893 |
| Heavy Atoms | 20 |
| Complexity | 642.2966 |
Chemical Identifiers
| CAS Number | 690961-29-6 |
|---|---|
| SMILES | CC1=NN=C(S1)SCC(=O)C2=CC3=C(C=C2)OCCO3 |
Product Overview
CBKinase1_005421 (CAS 690961-29-6), with molecular formula C13H12N2O3S2 and molecular weight 308.03 g/mol. IUPAC: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone.
Chemical Property Profile of CBKinase1_005421
Property Insights of CBKinase1_005421
The XLogP value of 2.59272 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_005421. The TPSA of 61.31 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_005421. Following Lipinski's Rule of Five, CBKinase1_005421 has 0 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_005421?
The CAS number of CBKinase1_005421 is 690961-29-6.
What is the molecular formula of CBKinase1_005421?
The molecular formula of CBKinase1_005421 is C13H12N2O3S2.
What is the molecular weight of CBKinase1_005421?
The molecular weight of CBKinase1_005421 is 308.03 g/mol.
Where can I buy CBKinase1_005421?
You can request a quote for CBKinase1_005421 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_005421?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_005421 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.