6-Amino-5-cyano-2-(3-cyano-6-phenyl-pyridin-2-ylsulfanylmethyl)-4-(4-methoxy-phenyl)-4H-pyran-3-car boxylic acid ethyl ester
TL;DR: 6-Amino-5-cyano-2-(3-cyano-6-phenyl-pyridin-2-ylsulfanylmethyl)-4-(4-methoxy-phenyl)-4H-pyran-3-car boxylic acid ethyl ester (CAS 340817-64-3) is a chemical compound with molecular formula C29H24N4O4S and molecular weight 524.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-amino-5-cyano-2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanylmethyl]-4-(4-methoxyphenyl)-4H-pyran-3-carboxylate
Also Known As: 6-Amino-5-cyano-2-(3-cyano-6-phenyl-pyridin-2-ylsulfanylmethyl)-4-(4-methoxy-phenyl)-4H-pyran-3-car boxylic acid ethyl ester, ethyl 6-amino-5-cyano-2-(((3-cyano-6-phenylpyridin-2-yl)thio)methyl)-4-(4-methoxyphenyl)-4H-pyran-3-carboxylate, ethyl 6-amino-5-cyano-2-[(3-cyano-6-phenyl(2-pyridylthio))methyl]-4-(4-methoxy phenyl)-4H-pyran-3-carboxylate, ethyl 6-amino-5-cyano-2-[(3-cyano-6-phenylpyridin-2-yl)sulfanylmethyl]-4-(4-methoxyphenyl)-4H-pyran-3-carboxylate, ETHYL 6-AMINO-5-CYANO-2-{[(3-CYANO-6-PHENYL-2-PYRIDINYL)SULFANYL]METHYL}-4-(4-METHOXYPHENYL)-4H-PYRAN-3-CARBOXYLATE
| Molecular Formula | C29H24N4O4S |
|---|---|
| Molecular Weight | 524.15 g/mol |
| LogP | 5.04606 |
| Topological Polar Surface Area | 131.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 524.15186 |
| Heavy Atoms | 38 |
| Complexity | 1485.698 |
Chemical Identifiers
| CAS Number | 340817-64-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC(=C(C1C2=CC=C(C=C2)OC)C#N)N)CSC3=C(C=CC(=N3)C4=CC=CC=C4)C#N |
Product Overview
6-Amino-5-cyano-2-(3-cyano-6-phenyl-pyridin-2-ylsulfanylmethyl)-4-(4-methoxy-phenyl)-4H-pyran-3-car boxylic acid ethyl ester (CAS 340817-64-3), with molecular formula C29H24N4O4S and molecular weight 524.15 g/mol. IUPAC: ethyl 6-amino-5-cyano-2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanylmethyl]-4-(4-methoxyphenyl)-4H-pyran-3-carboxylate.
Chemical Property Profile of 6-Amino-5-cyano-2-(3-cyano-6-phenyl-pyridin-2-ylsulfanylmethyl)-4-(4-methoxy-phenyl)-4H-pyran-3-car boxylic acid ethyl ester
Property Insights of 6-Amino-5-cyano-2-(3-cyano-6-phenyl-pyridin-2-ylsulfanylmethyl)-4-(4-methoxy-phenyl)-4H-pyran-3-car boxylic acid ethyl ester
The XLogP value of 5.04606 indicates that 6-Amino-5-cyano-2-(3-cyano-6-phenyl-pyridin-2-ylsulfanylmethyl)-4-(4-methoxy-phenyl)-4H-pyran-3-car boxylic acid ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.25 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Amino-5-cyano-2-(3-cyano-6-phenyl-pyridin-2-ylsulfanylmethyl)-4-(4-methoxy-phenyl)-4H-pyran-3-car boxylic acid ethyl ester. Following Lipinski's Rule of Five, 6-Amino-5-cyano-2-(3-cyano-6-phenyl-pyridin-2-ylsulfanylmethyl)-4-(4-methoxy-phenyl)-4H-pyran-3-car boxylic acid ethyl ester has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-Amino-5-cyano-2-(3-cyano-6-phenyl-pyridin-2-ylsulfanylmethyl)-4-(4-methoxy-phenyl)-4H-pyran-3-car boxylic acid ethyl ester?
The CAS number of 6-Amino-5-cyano-2-(3-cyano-6-phenyl-pyridin-2-ylsulfanylmethyl)-4-(4-methoxy-phenyl)-4H-pyran-3-car boxylic acid ethyl ester is 340817-64-3.
What is the molecular formula of 6-Amino-5-cyano-2-(3-cyano-6-phenyl-pyridin-2-ylsulfanylmethyl)-4-(4-methoxy-phenyl)-4H-pyran-3-car boxylic acid ethyl ester?
The molecular formula of 6-Amino-5-cyano-2-(3-cyano-6-phenyl-pyridin-2-ylsulfanylmethyl)-4-(4-methoxy-phenyl)-4H-pyran-3-car boxylic acid ethyl ester is C29H24N4O4S.
What is the molecular weight of 6-Amino-5-cyano-2-(3-cyano-6-phenyl-pyridin-2-ylsulfanylmethyl)-4-(4-methoxy-phenyl)-4H-pyran-3-car boxylic acid ethyl ester?
The molecular weight of 6-Amino-5-cyano-2-(3-cyano-6-phenyl-pyridin-2-ylsulfanylmethyl)-4-(4-methoxy-phenyl)-4H-pyran-3-car boxylic acid ethyl ester is 524.15 g/mol.
Where can I buy 6-Amino-5-cyano-2-(3-cyano-6-phenyl-pyridin-2-ylsulfanylmethyl)-4-(4-methoxy-phenyl)-4H-pyran-3-car boxylic acid ethyl ester?
You can request a quote for 6-Amino-5-cyano-2-(3-cyano-6-phenyl-pyridin-2-ylsulfanylmethyl)-4-(4-methoxy-phenyl)-4H-pyran-3-car boxylic 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 6-Amino-5-cyano-2-(3-cyano-6-phenyl-pyridin-2-ylsulfanylmethyl)-4-(4-methoxy-phenyl)-4H-pyran-3-car boxylic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 6-Amino-5-cyano-2-(3-cyano-6-phenyl-pyridin-2-ylsulfanylmethyl)-4-(4-methoxy-phenyl)-4H-pyran-3-car boxylic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.