ChemDiv3_015738
TL;DR: ChemDiv3_015738 (CAS 791806-29-6) is a chemical compound with molecular formula C16H11N5O2S and molecular weight 337.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: ChemDiv3_015738, CBKinase1_010920, CBKinase1_023320, 3-(2,3-dihydro-1,4-benzodioxin-2-yl)-6-(2-pyridinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, AO-365/43113417
| Molecular Formula | C16H11N5O2S |
|---|---|
| Molecular Weight | 337.06 g/mol |
| LogP | 2.7603 |
| Topological Polar Surface Area | 74.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 337.06335 |
| Heavy Atoms | 24 |
| Complexity | 1013.67487 |
Chemical Identifiers
| CAS Number | 791806-29-6 |
|---|---|
| SMILES | C1C(OC2=CC=CC=C2O1)C3=NN=C4N3N=C(S4)C5=CC=CC=N5 |
Product Overview
ChemDiv3_015738 (CAS 791806-29-6), with molecular formula C16H11N5O2S and molecular weight 337.06 g/mol. IUPAC: 3-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
Chemical Property Profile of ChemDiv3_015738
Property Insights of ChemDiv3_015738
The XLogP value of 2.7603 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_015738. The TPSA of 74.43 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_015738. Following Lipinski's Rule of Five, ChemDiv3_015738 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 ChemDiv3_015738?
The CAS number of ChemDiv3_015738 is 791806-29-6.
What is the molecular formula of ChemDiv3_015738?
The molecular formula of ChemDiv3_015738 is C16H11N5O2S.
What is the molecular weight of ChemDiv3_015738?
The molecular weight of ChemDiv3_015738 is 337.06 g/mol.
Where can I buy ChemDiv3_015738?
You can request a quote for ChemDiv3_015738 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_015738?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_015738 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.