BAS 12975641
TL;DR: BAS 12975641 (CAS 878434-95-8) is a chemical compound with molecular formula C17H14N4O3S and molecular weight 354.08 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-ylmethyl)-3-(2-methylfuran-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: BAS 12975641, AO-365/43300774, 6-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(2-methyl-3-furyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 6-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(2-methylfuran-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 6-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)methyl)-3-(2-methylfuran-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
| Molecular Formula | C17H14N4O3S |
|---|---|
| Molecular Weight | 354.08 g/mol |
| LogP | 3.11622 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 354.07867 |
| Heavy Atoms | 25 |
| Complexity | 1065.1632 |
Chemical Identifiers
| CAS Number | 878434-95-8 |
|---|---|
| SMILES | CC1=C(C=CO1)C2=NN=C3N2N=C(S3)CC4=CC5=C(C=C4)OCCO5 |
Product Overview
BAS 12975641 (CAS 878434-95-8), with molecular formula C17H14N4O3S and molecular weight 354.08 g/mol. IUPAC: 6-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(2-methylfuran-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
Chemical Property Profile of BAS 12975641
Property Insights of BAS 12975641
The XLogP value of 3.11622 indicates that BAS 12975641 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.68 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12975641. Following Lipinski's Rule of Five, BAS 12975641 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 12975641?
The CAS number of BAS 12975641 is 878434-95-8.
What is the molecular formula of BAS 12975641?
The molecular formula of BAS 12975641 is C17H14N4O3S.
What is the molecular weight of BAS 12975641?
The molecular weight of BAS 12975641 is 354.08 g/mol.
Where can I buy BAS 12975641?
You can request a quote for BAS 12975641 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12975641?
Yes, KEHONG BIO provides custom synthesis services for BAS 12975641 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.