(6-Amino-3,5-dicyano-4-furan-2-yl-pyridin-2-ylsulfanyl)-acetic acid isopropyl ester
TL;DR: (6-Amino-3,5-dicyano-4-furan-2-yl-pyridin-2-ylsulfanyl)-acetic acid isopropyl ester (CAS 189278-36-2) is a chemical compound with molecular formula C16H14N4O3S and molecular weight 342.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-[[6-amino-3,5-dicyano-4-(furan-2-yl)-2-pyridinyl]sulfanyl]acetate
Also Known As: (6-Amino-3,5-dicyano-4-furan-2-yl-pyridin-2-ylsulfanyl)-acetic acid isopropyl ester, isopropyl 2-((6-amino-3,5-dicyano-4-(furan-2-yl)pyridin-2-yl)thio)acetate, propan-2-yl {[6-amino-3,5-dicyano-4-(furan-2-yl)pyridin-2-yl]sulfanyl}acetate, propan-2-yl 2-[6-amino-3,5-dicyano-4-(furan-2-yl)pyridin-2-yl]sulfanylacetate
| Molecular Formula | C16H14N4O3S |
|---|---|
| Molecular Weight | 342.08 g/mol |
| LogP | 2.71086 |
| Topological Polar Surface Area | 125.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 342.07867 |
| Heavy Atoms | 24 |
| Complexity | 832.48303 |
Chemical Identifiers
| CAS Number | 189278-36-2 |
|---|---|
| SMILES | CC(C)OC(=O)CSC1=C(C(=C(C(=N1)N)C#N)C2=CC=CO2)C#N |
Product Overview
(6-Amino-3,5-dicyano-4-furan-2-yl-pyridin-2-ylsulfanyl)-acetic acid isopropyl ester (CAS 189278-36-2), with molecular formula C16H14N4O3S and molecular weight 342.08 g/mol. IUPAC: propan-2-yl 2-[[6-amino-3,5-dicyano-4-(furan-2-yl)-2-pyridinyl]sulfanyl]acetate.
Chemical Property Profile of (6-Amino-3,5-dicyano-4-furan-2-yl-pyridin-2-ylsulfanyl)-acetic acid isopropyl ester
Property Insights of (6-Amino-3,5-dicyano-4-furan-2-yl-pyridin-2-ylsulfanyl)-acetic acid isopropyl ester
The XLogP value of 2.71086 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (6-Amino-3,5-dicyano-4-furan-2-yl-pyridin-2-ylsulfanyl)-acetic acid isopropyl ester. The TPSA of 125.93 Ų falls within the moderate polarity range, balancing permeability and solubility for (6-Amino-3,5-dicyano-4-furan-2-yl-pyridin-2-ylsulfanyl)-acetic acid isopropyl ester. Following Lipinski's Rule of Five, (6-Amino-3,5-dicyano-4-furan-2-yl-pyridin-2-ylsulfanyl)-acetic acid isopropyl ester has 1 hydrogen bond donor(s) and 8 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 (6-Amino-3,5-dicyano-4-furan-2-yl-pyridin-2-ylsulfanyl)-acetic acid isopropyl ester?
The CAS number of (6-Amino-3,5-dicyano-4-furan-2-yl-pyridin-2-ylsulfanyl)-acetic acid isopropyl ester is 189278-36-2.
What is the molecular formula of (6-Amino-3,5-dicyano-4-furan-2-yl-pyridin-2-ylsulfanyl)-acetic acid isopropyl ester?
The molecular formula of (6-Amino-3,5-dicyano-4-furan-2-yl-pyridin-2-ylsulfanyl)-acetic acid isopropyl ester is C16H14N4O3S.
What is the molecular weight of (6-Amino-3,5-dicyano-4-furan-2-yl-pyridin-2-ylsulfanyl)-acetic acid isopropyl ester?
The molecular weight of (6-Amino-3,5-dicyano-4-furan-2-yl-pyridin-2-ylsulfanyl)-acetic acid isopropyl ester is 342.08 g/mol.
Where can I buy (6-Amino-3,5-dicyano-4-furan-2-yl-pyridin-2-ylsulfanyl)-acetic acid isopropyl ester?
You can request a quote for (6-Amino-3,5-dicyano-4-furan-2-yl-pyridin-2-ylsulfanyl)-acetic acid isopropyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (6-Amino-3,5-dicyano-4-furan-2-yl-pyridin-2-ylsulfanyl)-acetic acid isopropyl ester?
Yes, KEHONG BIO provides custom synthesis services for (6-Amino-3,5-dicyano-4-furan-2-yl-pyridin-2-ylsulfanyl)-acetic acid isopropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.