ethyl (1S,2S,3R,8aS)-6-acetyl-3-carbamoyl-1-cyano-2-thiophen-3-yl-3,8a-dihydro-2H-indolizine-1-carboxylate
TL;DR: ethyl (1S,2S,3R,8aS)-6-acetyl-3-carbamoyl-1-cyano-2-thiophen-3-yl-3,8a-dihydro-2H-indolizine-1-carboxylate (CAS 303115-02-8) is a chemical compound with molecular formula C19H19N3O4S and molecular weight 385.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (1S,2S,3R,8aS)-6-acetyl-3-carbamoyl-1-cyano-2-thiophen-3-yl-3,8a-dihydro-2H-indolizine-1-carboxylate
Also Known As: ethyl (1S,2S,3R,8aS)-6-acetyl-3-carbamoyl-1-cyano-2-thiophen-3-yl-3,8a-dihydro-2H-indolizine-1-carboxylate, (1S,2S,3R,8aS)-6-acetyl-3-carbamoyl-1-cyano-2-(3-thienyl)-3,8a-dihydro-2H-indolizine-1-carboxylic acid ethyl ester, (1S,2S,3R,8aS)-6-acetyl-3-carbamoyl-1-cyano-2-(3-thiophenyl)-3,8a-dihydro-2H-indolizine-1-carboxylic acid ethyl ester, (1S,2S,3R,8aS)-ethyl 6-acetyl-3-carbamoyl-1-cyano-2-(thiophen-3-yl)-1,2,3,8a-tetrahydroindolizine-1-carboxylate, ethyl (1S,2S,3R,8aS)-3-aminocarbonyl-1-cyano-6-ethanoyl-2-thiophen-3-yl-3,8a-dihydro-2H-indolizine-1-carboxylate
| Molecular Formula | C19H19N3O4S |
|---|---|
| Molecular Weight | 385.11 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 142.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 385.10962 |
| Heavy Atoms | 27 |
| Complexity | 783.0 |
Chemical Identifiers
| CAS Number | 303115-02-8 |
|---|---|
| SMILES | CCOC(=O)[C@@]1([C@@H]2C=CC(=CN2[C@H]([C@@H]1C3=CSC=C3)C(=O)N)C(=O)C)C#N |
| InChIKey | WJXIZLBMJFLASA-YIOZNXECSA-N |
Product Overview
ethyl (1S,2S,3R,8aS)-6-acetyl-3-carbamoyl-1-cyano-2-thiophen-3-yl-3,8a-dihydro-2H-indolizine-1-carboxylate (CAS 303115-02-8), with molecular formula C19H19N3O4S and molecular weight 385.11 g/mol. IUPAC: ethyl (1S,2S,3R,8aS)-6-acetyl-3-carbamoyl-1-cyano-2-thiophen-3-yl-3,8a-dihydro-2H-indolizine-1-carboxylate.
Chemical Property Profile of ethyl (1S,2S,3R,8aS)-6-acetyl-3-carbamoyl-1-cyano-2-thiophen-3-yl-3,8a-dihydro-2H-indolizine-1-carboxylate
Property Insights of ethyl (1S,2S,3R,8aS)-6-acetyl-3-carbamoyl-1-cyano-2-thiophen-3-yl-3,8a-dihydro-2H-indolizine-1-carboxylate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (1S,2S,3R,8aS)-6-acetyl-3-carbamoyl-1-cyano-2-thiophen-3-yl-3,8a-dihydro-2H-indolizine-1-carboxylate. The TPSA of 142.0 Ų indicates high polarity, suggesting ethyl (1S,2S,3R,8aS)-6-acetyl-3-carbamoyl-1-cyano-2-thiophen-3-yl-3,8a-dihydro-2H-indolizine-1-carboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ethyl (1S,2S,3R,8aS)-6-acetyl-3-carbamoyl-1-cyano-2-thiophen-3-yl-3,8a-dihydro-2H-indolizine-1-carboxylate 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 ethyl (1S,2S,3R,8aS)-6-acetyl-3-carbamoyl-1-cyano-2-thiophen-3-yl-3,8a-dihydro-2H-indolizine-1-carboxylate?
The CAS number of ethyl (1S,2S,3R,8aS)-6-acetyl-3-carbamoyl-1-cyano-2-thiophen-3-yl-3,8a-dihydro-2H-indolizine-1-carboxylate is 303115-02-8.
What is the molecular formula of ethyl (1S,2S,3R,8aS)-6-acetyl-3-carbamoyl-1-cyano-2-thiophen-3-yl-3,8a-dihydro-2H-indolizine-1-carboxylate?
The molecular formula of ethyl (1S,2S,3R,8aS)-6-acetyl-3-carbamoyl-1-cyano-2-thiophen-3-yl-3,8a-dihydro-2H-indolizine-1-carboxylate is C19H19N3O4S.
What is the molecular weight of ethyl (1S,2S,3R,8aS)-6-acetyl-3-carbamoyl-1-cyano-2-thiophen-3-yl-3,8a-dihydro-2H-indolizine-1-carboxylate?
The molecular weight of ethyl (1S,2S,3R,8aS)-6-acetyl-3-carbamoyl-1-cyano-2-thiophen-3-yl-3,8a-dihydro-2H-indolizine-1-carboxylate is 385.11 g/mol.
Where can I buy ethyl (1S,2S,3R,8aS)-6-acetyl-3-carbamoyl-1-cyano-2-thiophen-3-yl-3,8a-dihydro-2H-indolizine-1-carboxylate?
You can request a quote for ethyl (1S,2S,3R,8aS)-6-acetyl-3-carbamoyl-1-cyano-2-thiophen-3-yl-3,8a-dihydro-2H-indolizine-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl (1S,2S,3R,8aS)-6-acetyl-3-carbamoyl-1-cyano-2-thiophen-3-yl-3,8a-dihydro-2H-indolizine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (1S,2S,3R,8aS)-6-acetyl-3-carbamoyl-1-cyano-2-thiophen-3-yl-3,8a-dihydro-2H-indolizine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.