![Ethyl {[4-(cyanoamino)-6-(diethylamino)-1,3,5-triazin-2-yl]sulfanyl}acetate structure](/static/products/771/77177-88-9.png)
Ethyl {[4-(cyanoamino)-6-(diethylamino)-1,3,5-triazin-2-yl]sulfanyl}acetate
TL;DR: Ethyl {[4-(cyanoamino)-6-(diethylamino)-1,3,5-triazin-2-yl]sulfanyl}acetate (CAS 77177-88-9) is a chemical compound with molecular formula C12H18N6O2S and molecular weight 310.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[4-(cyanoamino)-6-(diethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetate
Also Known As: ChemDiv3_002013, IDI1_020979, BRD-K76475839-001-01-3, ethyl 2-((4-cyanamido-6-(diethylamino)-1,3,5-triazin-2-yl)thio)acetate, ethyl {[4-(cyanoamino)-6-(diethylamino)-1,3,5-triazin-2-yl]sulfanyl}acetate
| Molecular Formula | C12H18N6O2S |
|---|---|
| Molecular Weight | 310.12 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 310.1212 |
| Heavy Atoms | 21 |
| Complexity | 370.0 |
Chemical Identifiers
| CAS Number | 77177-88-9 |
|---|---|
| SMILES | CCN(CC)C1=NC(=NC(=N1)NC#N)SCC(=O)OCC |
| InChIKey | JFMIWXKVYAYZST-UHFFFAOYSA-N |
Product Overview
Ethyl {[4-(cyanoamino)-6-(diethylamino)-1,3,5-triazin-2-yl]sulfanyl}acetate (CAS 77177-88-9), with molecular formula C12H18N6O2S and molecular weight 310.12 g/mol. IUPAC: ethyl 2-[[4-(cyanoamino)-6-(diethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetate.
Chemical Property Profile of Ethyl {[4-(cyanoamino)-6-(diethylamino)-1,3,5-triazin-2-yl]sulfanyl}acetate
Property Insights of Ethyl {[4-(cyanoamino)-6-(diethylamino)-1,3,5-triazin-2-yl]sulfanyl}acetate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl {[4-(cyanoamino)-6-(diethylamino)-1,3,5-triazin-2-yl]sulfanyl}acetate. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl {[4-(cyanoamino)-6-(diethylamino)-1,3,5-triazin-2-yl]sulfanyl}acetate. Following Lipinski's Rule of Five, Ethyl {[4-(cyanoamino)-6-(diethylamino)-1,3,5-triazin-2-yl]sulfanyl}acetate has 1 hydrogen bond donor(s) and 9 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 {[4-(cyanoamino)-6-(diethylamino)-1,3,5-triazin-2-yl]sulfanyl}acetate?
The CAS number of Ethyl {[4-(cyanoamino)-6-(diethylamino)-1,3,5-triazin-2-yl]sulfanyl}acetate is 77177-88-9.
What is the molecular formula of Ethyl {[4-(cyanoamino)-6-(diethylamino)-1,3,5-triazin-2-yl]sulfanyl}acetate?
The molecular formula of Ethyl {[4-(cyanoamino)-6-(diethylamino)-1,3,5-triazin-2-yl]sulfanyl}acetate is C12H18N6O2S.
What is the molecular weight of Ethyl {[4-(cyanoamino)-6-(diethylamino)-1,3,5-triazin-2-yl]sulfanyl}acetate?
The molecular weight of Ethyl {[4-(cyanoamino)-6-(diethylamino)-1,3,5-triazin-2-yl]sulfanyl}acetate is 310.12 g/mol.
Where can I buy Ethyl {[4-(cyanoamino)-6-(diethylamino)-1,3,5-triazin-2-yl]sulfanyl}acetate?
You can request a quote for Ethyl {[4-(cyanoamino)-6-(diethylamino)-1,3,5-triazin-2-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 {[4-(cyanoamino)-6-(diethylamino)-1,3,5-triazin-2-yl]sulfanyl}acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl {[4-(cyanoamino)-6-(diethylamino)-1,3,5-triazin-2-yl]sulfanyl}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.