Q689
TL;DR: Q689 (CAS 21600-46-4) is a chemical compound with molecular formula C13H10N4O3S2 and molecular weight 334.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1,1,3-trioxo-2-(pyridin-3-ylmethyl)thieno[3,4-e][1,2,4]thiadiazin-4-yl]acetonitrile
Also Known As: Q689, 4H-Thieno[3,4-e]-1,2,4-thiadiazine-4-acetonitrile, 2,3-dihydro-3-oxo-2-(3-pyridinylmethyl)-, 1,1-dioxide, 1,1,3-Trioxo-2H,4H-thieno[3,4-e][1,2,4]thiadiazine der., 4H-Thieno(3,4-e)-1,2,4-thiadiazine-4-acetonitrile, 2,3-dihydro-3-oxo-2-(3-pyridinylmethyl)-, 1,1-dioxide, 2-[1,1,3-trioxo-2-(pyridin-3-ylmethyl)thieno[3,4-e][1,2,4]thiadiazin-4-yl]acetonitrile
| Molecular Formula | C13H10N4O3S2 |
|---|---|
| Molecular Weight | 334.02 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 131.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 334.01944 |
| Heavy Atoms | 22 |
| Complexity | 594.0 |
Chemical Identifiers
| CAS Number | 21600-46-4 |
|---|---|
| SMILES | C1=CC(=CN=C1)CN2C(=O)N(C3=CSC=C3S2(=O)=O)CC#N |
| InChIKey | ZJSSIJMWNIOVIU-UHFFFAOYSA-N |
Product Overview
Q689 (CAS 21600-46-4), with molecular formula C13H10N4O3S2 and molecular weight 334.02 g/mol. IUPAC: 2-[1,1,3-trioxo-2-(pyridin-3-ylmethyl)thieno[3,4-e][1,2,4]thiadiazin-4-yl]acetonitrile.
Chemical Property Profile of Q689
Property Insights of Q689
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Q689. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Q689. Following Lipinski's Rule of Five, Q689 has 0 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 Q689?
The CAS number of Q689 is 21600-46-4.
What is the molecular formula of Q689?
The molecular formula of Q689 is C13H10N4O3S2.
What is the molecular weight of Q689?
The molecular weight of Q689 is 334.02 g/mol.
Where can I buy Q689?
You can request a quote for Q689 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Q689?
Yes, KEHONG BIO provides custom synthesis services for Q689 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.