BAS 12975414
TL;DR: BAS 12975414 (CAS 579446-44-9) is a chemical compound with molecular formula C16H14N6S and molecular weight 322.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-4-(3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline
Also Known As: BAS 12975414, AO-365/43300906, N,N-dimethyl-4-(3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline, N,N-dimethyl-4-[3-(pyridin-3-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]aniline, dimethyl[4-(3-(3-pyridyl)(1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6-yl))phenyl ]amine
| Molecular Formula | C16H14N6S |
|---|---|
| Molecular Weight | 322.10 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 87.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 322.10007 |
| Heavy Atoms | 23 |
| Complexity | 400.0 |
Chemical Identifiers
| CAS Number | 579446-44-9 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)C2=NN3C(=NN=C3S2)C4=CN=CC=C4 |
| InChIKey | QXBQXAVBLPGTFY-UHFFFAOYSA-N |
Product Overview
BAS 12975414 (CAS 579446-44-9), with molecular formula C16H14N6S and molecular weight 322.10 g/mol. IUPAC: N,N-dimethyl-4-(3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline.
Chemical Property Profile of BAS 12975414
Property Insights of BAS 12975414
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12975414. The TPSA of 87.5 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12975414. Following Lipinski's Rule of Five, BAS 12975414 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 BAS 12975414?
The CAS number of BAS 12975414 is 579446-44-9.
What is the molecular formula of BAS 12975414?
The molecular formula of BAS 12975414 is C16H14N6S.
What is the molecular weight of BAS 12975414?
The molecular weight of BAS 12975414 is 322.10 g/mol.
Where can I buy BAS 12975414?
You can request a quote for BAS 12975414 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12975414?
Yes, KEHONG BIO provides custom synthesis services for BAS 12975414 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.