![ethyl ({5-[4-(dimethylamino)phenyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetate structure](/static/products/899/899587-14-5.png)
ethyl ({5-[4-(dimethylamino)phenyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
TL;DR: ethyl ({5-[4-(dimethylamino)phenyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetate (CAS 899587-14-5) is a chemical compound with molecular formula C15H20N4O2S and molecular weight 320.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[5-[4-(dimethylamino)phenyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: ethyl ({5-[4-(dimethylamino)phenyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetate, ethyl 2-((5-(4-(dimethylamino)phenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetate, ethyl 2-[[5-(4-dimethylaminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate, ETHYL 2-({5-[4-(DIMETHYLAMINO)PHENYL]-4-METHYL-4H-1,2,4-TRIAZOL-3-YL}SULFANYL)ACETATE
| Molecular Formula | C15H20N4O2S |
|---|---|
| Molecular Weight | 320.13 g/mol |
| LogP | 2.2033 |
| Topological Polar Surface Area | 60.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 320.1307 |
| Heavy Atoms | 22 |
| Complexity | 637.49207 |
Chemical Identifiers
| CAS Number | 899587-14-5 |
|---|---|
| SMILES | CCOC(=O)CSC1=NN=C(N1C)C2=CC=C(C=C2)N(C)C |
Product Overview
ethyl ({5-[4-(dimethylamino)phenyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetate (CAS 899587-14-5), with molecular formula C15H20N4O2S and molecular weight 320.13 g/mol. IUPAC: ethyl 2-[[5-[4-(dimethylamino)phenyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of ethyl ({5-[4-(dimethylamino)phenyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
Property Insights of ethyl ({5-[4-(dimethylamino)phenyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
The XLogP value of 2.2033 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl ({5-[4-(dimethylamino)phenyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetate. The TPSA of 60.25 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl ({5-[4-(dimethylamino)phenyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetate. Following Lipinski's Rule of Five, ethyl ({5-[4-(dimethylamino)phenyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetate 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 ethyl ({5-[4-(dimethylamino)phenyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetate?
The CAS number of ethyl ({5-[4-(dimethylamino)phenyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetate is 899587-14-5.
What is the molecular formula of ethyl ({5-[4-(dimethylamino)phenyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetate?
The molecular formula of ethyl ({5-[4-(dimethylamino)phenyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetate is C15H20N4O2S.
What is the molecular weight of ethyl ({5-[4-(dimethylamino)phenyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetate?
The molecular weight of ethyl ({5-[4-(dimethylamino)phenyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetate is 320.13 g/mol.
Where can I buy ethyl ({5-[4-(dimethylamino)phenyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetate?
You can request a quote for ethyl ({5-[4-(dimethylamino)phenyl]-4-methyl-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 ethyl ({5-[4-(dimethylamino)phenyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl ({5-[4-(dimethylamino)phenyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.