BAS 12975427
TL;DR: BAS 12975427 (CAS 853891-69-7) 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.
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: BAS 12975427, VU0608750-1, AP-906/43300914, 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-pyridinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, F3284-8645
| Molecular Formula | C16H11N5O2S |
|---|---|
| Molecular Weight | 337.06 g/mol |
| LogP | 2.686 |
| 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 | 1027.5685 |
Chemical Identifiers
| CAS Number | 853891-69-7 |
|---|---|
| SMILES | C1COC2=C(O1)C=CC(=C2)C3=NN4C(=NN=C4S3)C5=CN=CC=C5 |
Product Overview
BAS 12975427 (CAS 853891-69-7), with molecular formula C16H11N5O2S and molecular weight 337.06 g/mol. IUPAC: 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
Chemical Property Profile of BAS 12975427
Property Insights of BAS 12975427
The XLogP value of 2.686 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12975427. The TPSA of 74.43 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12975427. Following Lipinski's Rule of Five, BAS 12975427 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 BAS 12975427?
The CAS number of BAS 12975427 is 853891-69-7.
What is the molecular formula of BAS 12975427?
The molecular formula of BAS 12975427 is C16H11N5O2S.
What is the molecular weight of BAS 12975427?
The molecular weight of BAS 12975427 is 337.06 g/mol.
Where can I buy BAS 12975427?
You can request a quote for BAS 12975427 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12975427?
Yes, KEHONG BIO provides custom synthesis services for BAS 12975427 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.