![Methyl {[6-amino-4-(4-bromophenyl)-3,5-dicyanopyridin-2-yl]sulfanyl}acetate structure](/static/products/208/208254-35-7.png)
Methyl {[6-amino-4-(4-bromophenyl)-3,5-dicyanopyridin-2-yl]sulfanyl}acetate
TL;DR: Methyl {[6-amino-4-(4-bromophenyl)-3,5-dicyanopyridin-2-yl]sulfanyl}acetate (CAS 208254-35-7) is a chemical compound with molecular formula C16H11BrN4O2S and molecular weight 401.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[6-amino-4-(4-bromophenyl)-3,5-dicyano-2-pyridinyl]sulfanyl]acetate
Also Known As: methyl {[6-amino-4-(4-bromophenyl)-3,5-dicyano-2-pyridinyl]thio}acetate, methyl 2-((6-amino-4-(4-bromophenyl)-3,5-dicyanopyridin-2-yl)thio)acetate, methyl {[6-amino-4-(4-bromophenyl)-3,5-dicyanopyridin-2-yl]sulfanyl}acetate, Methyl 2-[6-amino-4-(4-bromophenyl)-3,5-dicyano-pyridin-2-yl]sulfanylacetate, methyl 2-[6-amino-4-(4-bromophenyl)-3,5-dicyanopyridin-2-yl]sulfanylacetate
| Molecular Formula | C16H11BrN4O2S |
|---|---|
| Molecular Weight | 401.98 g/mol |
| LogP | 3.10176 |
| Topological Polar Surface Area | 112.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 401.9786 |
| Heavy Atoms | 24 |
| Complexity | 869.6169 |
Chemical Identifiers
| CAS Number | 208254-35-7 |
|---|---|
| SMILES | COC(=O)CSC1=C(C(=C(C(=N1)N)C#N)C2=CC=C(C=C2)Br)C#N |
Product Overview
Methyl {[6-amino-4-(4-bromophenyl)-3,5-dicyanopyridin-2-yl]sulfanyl}acetate (CAS 208254-35-7), with molecular formula C16H11BrN4O2S and molecular weight 401.98 g/mol. IUPAC: methyl 2-[[6-amino-4-(4-bromophenyl)-3,5-dicyano-2-pyridinyl]sulfanyl]acetate.
Chemical Property Profile of Methyl {[6-amino-4-(4-bromophenyl)-3,5-dicyanopyridin-2-yl]sulfanyl}acetate
Property Insights of Methyl {[6-amino-4-(4-bromophenyl)-3,5-dicyanopyridin-2-yl]sulfanyl}acetate
The XLogP value of 3.10176 indicates that Methyl {[6-amino-4-(4-bromophenyl)-3,5-dicyanopyridin-2-yl]sulfanyl}acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.79 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl {[6-amino-4-(4-bromophenyl)-3,5-dicyanopyridin-2-yl]sulfanyl}acetate. Following Lipinski's Rule of Five, Methyl {[6-amino-4-(4-bromophenyl)-3,5-dicyanopyridin-2-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 Methyl {[6-amino-4-(4-bromophenyl)-3,5-dicyanopyridin-2-yl]sulfanyl}acetate?
The CAS number of Methyl {[6-amino-4-(4-bromophenyl)-3,5-dicyanopyridin-2-yl]sulfanyl}acetate is 208254-35-7.
What is the molecular formula of Methyl {[6-amino-4-(4-bromophenyl)-3,5-dicyanopyridin-2-yl]sulfanyl}acetate?
The molecular formula of Methyl {[6-amino-4-(4-bromophenyl)-3,5-dicyanopyridin-2-yl]sulfanyl}acetate is C16H11BrN4O2S.
What is the molecular weight of Methyl {[6-amino-4-(4-bromophenyl)-3,5-dicyanopyridin-2-yl]sulfanyl}acetate?
The molecular weight of Methyl {[6-amino-4-(4-bromophenyl)-3,5-dicyanopyridin-2-yl]sulfanyl}acetate is 401.98 g/mol.
Where can I buy Methyl {[6-amino-4-(4-bromophenyl)-3,5-dicyanopyridin-2-yl]sulfanyl}acetate?
You can request a quote for Methyl {[6-amino-4-(4-bromophenyl)-3,5-dicyanopyridin-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 Methyl {[6-amino-4-(4-bromophenyl)-3,5-dicyanopyridin-2-yl]sulfanyl}acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl {[6-amino-4-(4-bromophenyl)-3,5-dicyanopyridin-2-yl]sulfanyl}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.