methyl 2-((4-cyanamido-6-(isopropylamino)-1,3,5-triazin-2-yl)thio)acetate
TL;DR: methyl 2-((4-cyanamido-6-(isopropylamino)-1,3,5-triazin-2-yl)thio)acetate (CAS 77177-76-5) 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.
methyl 2-[[4-(cyanoamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]acetate
Also Known As: methyl 2-((4-cyanamido-6-(isopropylamino)-1,3,5-triazin-2-yl)thio)acetate, (4-Cyanoamino-6-isopropylamino-[1,3,5]triazin-2-ylsulfanyl)-acetic acid methyl ester, methyl {[4-(cyanoamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl}acetate, methyl 2-[[4-(cyanoamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]acetate
| Molecular Formula | C10H14N6O2S |
|---|---|
| Molecular Weight | 282.09 g/mol |
| LogP | 0.84998 |
| Topological Polar Surface Area | 112.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 282.0899 |
| Heavy Atoms | 19 |
| Complexity | 487.3985 |
Chemical Identifiers
| CAS Number | 77177-76-5 |
|---|---|
| SMILES | CC(C)NC1=NC(=NC(=N1)NC#N)SCC(=O)OC |
Product Overview
methyl 2-((4-cyanamido-6-(isopropylamino)-1,3,5-triazin-2-yl)thio)acetate (CAS 77177-76-5), with molecular formula C10H14N6O2S and molecular weight 282.09 g/mol. IUPAC: methyl 2-[[4-(cyanoamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]acetate.
Chemical Property Profile of methyl 2-((4-cyanamido-6-(isopropylamino)-1,3,5-triazin-2-yl)thio)acetate
Property Insights of methyl 2-((4-cyanamido-6-(isopropylamino)-1,3,5-triazin-2-yl)thio)acetate
The XLogP value of 0.84998 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-((4-cyanamido-6-(isopropylamino)-1,3,5-triazin-2-yl)thio)acetate. The TPSA of 112.82 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-((4-cyanamido-6-(isopropylamino)-1,3,5-triazin-2-yl)thio)acetate. Following Lipinski's Rule of Five, methyl 2-((4-cyanamido-6-(isopropylamino)-1,3,5-triazin-2-yl)thio)acetate 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 methyl 2-((4-cyanamido-6-(isopropylamino)-1,3,5-triazin-2-yl)thio)acetate?
The CAS number of methyl 2-((4-cyanamido-6-(isopropylamino)-1,3,5-triazin-2-yl)thio)acetate is 77177-76-5.
What is the molecular formula of methyl 2-((4-cyanamido-6-(isopropylamino)-1,3,5-triazin-2-yl)thio)acetate?
The molecular formula of methyl 2-((4-cyanamido-6-(isopropylamino)-1,3,5-triazin-2-yl)thio)acetate is C10H14N6O2S.
What is the molecular weight of methyl 2-((4-cyanamido-6-(isopropylamino)-1,3,5-triazin-2-yl)thio)acetate?
The molecular weight of methyl 2-((4-cyanamido-6-(isopropylamino)-1,3,5-triazin-2-yl)thio)acetate is 282.09 g/mol.
Where can I buy methyl 2-((4-cyanamido-6-(isopropylamino)-1,3,5-triazin-2-yl)thio)acetate?
You can request a quote for methyl 2-((4-cyanamido-6-(isopropylamino)-1,3,5-triazin-2-yl)thio)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-((4-cyanamido-6-(isopropylamino)-1,3,5-triazin-2-yl)thio)acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-((4-cyanamido-6-(isopropylamino)-1,3,5-triazin-2-yl)thio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.