![propan-2-yl {[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate structure](/static/products/577/577694-04-3.png)
propan-2-yl {[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
TL;DR: propan-2-yl {[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate (CAS 577694-04-3) is a chemical compound with molecular formula C12H15N5O2S and molecular weight 293.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetate
Also Known As: isopropyl 2-((4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetate, propan-2-yl {[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate, propan-2-yl 2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetate
| Molecular Formula | C12H15N5O2S |
|---|---|
| Molecular Weight | 293.09 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 293.09464 |
| Heavy Atoms | 20 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 577694-04-3 |
|---|---|
| SMILES | CC(C)OC(=O)CSC1=NN=C(N1N)C2=CN=CC=C2 |
| InChIKey | WHSZCOMPIJHMGX-UHFFFAOYSA-N |
Product Overview
propan-2-yl {[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate (CAS 577694-04-3), with molecular formula C12H15N5O2S and molecular weight 293.09 g/mol. IUPAC: propan-2-yl 2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetate.
Chemical Property Profile of propan-2-yl {[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Property Insights of propan-2-yl {[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for propan-2-yl {[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for propan-2-yl {[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate. Following Lipinski's Rule of Five, propan-2-yl {[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate has 1 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 propan-2-yl {[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate?
The CAS number of propan-2-yl {[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate is 577694-04-3.
What is the molecular formula of propan-2-yl {[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate?
The molecular formula of propan-2-yl {[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate is C12H15N5O2S.
What is the molecular weight of propan-2-yl {[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate?
The molecular weight of propan-2-yl {[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate is 293.09 g/mol.
Where can I buy propan-2-yl {[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate?
You can request a quote for propan-2-yl {[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for propan-2-yl {[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate?
Yes, KEHONG BIO provides custom synthesis services for propan-2-yl {[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.