![(4-Cyanoamino-6-ethylamino-[1,3,5]triazin-2-ylsulfanyl)-acetic acid ethyl ester structure](/static/products/771/77177-82-3.png)
(4-Cyanoamino-6-ethylamino-[1,3,5]triazin-2-ylsulfanyl)-acetic acid ethyl ester
TL;DR: (4-Cyanoamino-6-ethylamino-[1,3,5]triazin-2-ylsulfanyl)-acetic acid ethyl ester (CAS 77177-82-3) is a chemical compound with molecular formula C10H14N6O2S and molecular weight 282.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[4-(cyanoamino)-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetate
Also Known As: BAS 00386076, (4-Cyanoamino-6-ethylamino-[1,3,5]triazin-2-ylsulfanyl)-acetic acid ethyl ester, ethyl {[4-(cyanoamino)-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl}acetate, ethyl 2-((4-cyanamido-6-(ethylamino)-1,3,5-triazin-2-yl)thio)acetate, ethyl 2-[[4-(cyanoamino)-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetate
| Molecular Formula | C10H14N6O2S |
|---|---|
| Molecular Weight | 282.09 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 282.0899 |
| Heavy Atoms | 19 |
| Complexity | 333.0 |
Chemical Identifiers
| CAS Number | 77177-82-3 |
|---|---|
| SMILES | CCNC1=NC(=NC(=N1)SCC(=O)OCC)NC#N |
| InChIKey | QOFKBAOGEUDJJQ-UHFFFAOYSA-N |
Product Overview
(4-Cyanoamino-6-ethylamino-[1,3,5]triazin-2-ylsulfanyl)-acetic acid ethyl ester (CAS 77177-82-3), with molecular formula C10H14N6O2S and molecular weight 282.09 g/mol. IUPAC: ethyl 2-[[4-(cyanoamino)-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetate.
Chemical Property Profile of (4-Cyanoamino-6-ethylamino-[1,3,5]triazin-2-ylsulfanyl)-acetic acid ethyl ester
Property Insights of (4-Cyanoamino-6-ethylamino-[1,3,5]triazin-2-ylsulfanyl)-acetic acid ethyl ester
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Cyanoamino-6-ethylamino-[1,3,5]triazin-2-ylsulfanyl)-acetic acid ethyl ester. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Cyanoamino-6-ethylamino-[1,3,5]triazin-2-ylsulfanyl)-acetic acid ethyl ester. Following Lipinski's Rule of Five, (4-Cyanoamino-6-ethylamino-[1,3,5]triazin-2-ylsulfanyl)-acetic acid ethyl ester has 2 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 (4-Cyanoamino-6-ethylamino-[1,3,5]triazin-2-ylsulfanyl)-acetic acid ethyl ester?
The CAS number of (4-Cyanoamino-6-ethylamino-[1,3,5]triazin-2-ylsulfanyl)-acetic acid ethyl ester is 77177-82-3.
What is the molecular formula of (4-Cyanoamino-6-ethylamino-[1,3,5]triazin-2-ylsulfanyl)-acetic acid ethyl ester?
The molecular formula of (4-Cyanoamino-6-ethylamino-[1,3,5]triazin-2-ylsulfanyl)-acetic acid ethyl ester is C10H14N6O2S.
What is the molecular weight of (4-Cyanoamino-6-ethylamino-[1,3,5]triazin-2-ylsulfanyl)-acetic acid ethyl ester?
The molecular weight of (4-Cyanoamino-6-ethylamino-[1,3,5]triazin-2-ylsulfanyl)-acetic acid ethyl ester is 282.09 g/mol.
Where can I buy (4-Cyanoamino-6-ethylamino-[1,3,5]triazin-2-ylsulfanyl)-acetic acid ethyl ester?
You can request a quote for (4-Cyanoamino-6-ethylamino-[1,3,5]triazin-2-ylsulfanyl)-acetic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Cyanoamino-6-ethylamino-[1,3,5]triazin-2-ylsulfanyl)-acetic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for (4-Cyanoamino-6-ethylamino-[1,3,5]triazin-2-ylsulfanyl)-acetic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.