![ethyl 6-amino-5-cyano-2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanylmethyl]-4-phenyl-4H-pyran-3-carboxylate structure](/static/products/3280/328068-80-0.webp)
ethyl 6-amino-5-cyano-2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanylmethyl]-4-phenyl-4H-pyran-3-carboxylate
TL;DR: ethyl 6-amino-5-cyano-2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanylmethyl]-4-phenyl-4H-pyran-3-carboxylate (CAS 328068-80-0) is a chemical compound with molecular formula C25H22N4O3S and molecular weight 458.14 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-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanylmethyl]-4-phenyl-4H-pyran-3-carboxylate
Also Known As: ethyl 6-amino-5-cyano-2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanylmethyl]-4-phenyl-4H-pyran-3-carboxylate, A0370/0017040, ethyl 6-amino-5-cyano-2-{[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]methyl}-4-phenyl-4H-pyran-3-carboxylate, ethyl 6-amino-5-cyano-2-(((3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)thio)methyl)-4-phenyl-4H-pyran-3-carboxylate, ethyl 6-amino-5-cyano-2-[(3-cyano(5,6,7-trihydrocyclopenta[1,2-e]pyridin-2-ylt hio))methyl]-4-phenyl-4H-pyran-3-carboxylate
| Molecular Formula | C25H22N4O3S |
|---|---|
| Molecular Weight | 458.14 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 147.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 458.14127 |
| Heavy Atoms | 33 |
| Complexity | 920.0 |
Chemical Identifiers
| CAS Number | 328068-80-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC(=C(C1C2=CC=CC=C2)C#N)N)CSC3=C(C=C4CCCC4=N3)C#N |
| InChIKey | QSBPYAFCPSJXAD-UHFFFAOYSA-N |
Product Overview
ethyl 6-amino-5-cyano-2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanylmethyl]-4-phenyl-4H-pyran-3-carboxylate (CAS 328068-80-0), with molecular formula C25H22N4O3S and molecular weight 458.14 g/mol. IUPAC: ethyl 6-amino-5-cyano-2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanylmethyl]-4-phenyl-4H-pyran-3-carboxylate.
Chemical Property Profile of ethyl 6-amino-5-cyano-2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanylmethyl]-4-phenyl-4H-pyran-3-carboxylate
Property Insights of ethyl 6-amino-5-cyano-2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanylmethyl]-4-phenyl-4H-pyran-3-carboxylate
The XLogP value of 3.8 indicates that ethyl 6-amino-5-cyano-2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanylmethyl]-4-phenyl-4H-pyran-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 147.0 Ų indicates high polarity, suggesting ethyl 6-amino-5-cyano-2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanylmethyl]-4-phenyl-4H-pyran-3-carboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ethyl 6-amino-5-cyano-2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanylmethyl]-4-phenyl-4H-pyran-3-carboxylate 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 ethyl 6-amino-5-cyano-2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanylmethyl]-4-phenyl-4H-pyran-3-carboxylate?
The CAS number of ethyl 6-amino-5-cyano-2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanylmethyl]-4-phenyl-4H-pyran-3-carboxylate is 328068-80-0.
What is the molecular formula of ethyl 6-amino-5-cyano-2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanylmethyl]-4-phenyl-4H-pyran-3-carboxylate?
The molecular formula of ethyl 6-amino-5-cyano-2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanylmethyl]-4-phenyl-4H-pyran-3-carboxylate is C25H22N4O3S.
What is the molecular weight of ethyl 6-amino-5-cyano-2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanylmethyl]-4-phenyl-4H-pyran-3-carboxylate?
The molecular weight of ethyl 6-amino-5-cyano-2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanylmethyl]-4-phenyl-4H-pyran-3-carboxylate is 458.14 g/mol.
Where can I buy ethyl 6-amino-5-cyano-2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanylmethyl]-4-phenyl-4H-pyran-3-carboxylate?
You can request a quote for ethyl 6-amino-5-cyano-2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanylmethyl]-4-phenyl-4H-pyran-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 6-amino-5-cyano-2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanylmethyl]-4-phenyl-4H-pyran-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 6-amino-5-cyano-2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanylmethyl]-4-phenyl-4H-pyran-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.