ethyl 6-amino-5-cyano-2,3-dihydro-1H-pyrrolizine-7-carboxylate
TL;DR: ethyl 6-amino-5-cyano-2,3-dihydro-1H-pyrrolizine-7-carboxylate (CAS 106345-07-7) is a chemical compound with molecular formula C11H13N3O2 and molecular weight 219.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-amino-3-cyano-6,7-dihydro-5H-pyrrolizine-1-carboxylate
Also Known As: BIM-0014130.P001, ethyl 6-amino-5-cyano-2,3-dihydro-1H-pyrrolizine-7-carboxylate, ethyl 2-amino-3-cyano-6,7-dihydro-5H-pyrrolizine-1-carboxylate
| Molecular Formula | C11H13N3O2 |
|---|---|
| Molecular Weight | 219.10 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 81.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 219.10077 |
| Heavy Atoms | 16 |
| Complexity | 335.0 |
Chemical Identifiers
| CAS Number | 106345-07-7 |
|---|---|
| SMILES | CCOC(=O)C1=C2CCCN2C(=C1N)C#N |
| InChIKey | XUBUAGXQMBWLFY-UHFFFAOYSA-N |
Product Overview
ethyl 6-amino-5-cyano-2,3-dihydro-1H-pyrrolizine-7-carboxylate (CAS 106345-07-7), with molecular formula C11H13N3O2 and molecular weight 219.10 g/mol. IUPAC: ethyl 2-amino-3-cyano-6,7-dihydro-5H-pyrrolizine-1-carboxylate.
Chemical Property Profile of ethyl 6-amino-5-cyano-2,3-dihydro-1H-pyrrolizine-7-carboxylate
Property Insights of ethyl 6-amino-5-cyano-2,3-dihydro-1H-pyrrolizine-7-carboxylate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 6-amino-5-cyano-2,3-dihydro-1H-pyrrolizine-7-carboxylate. The TPSA of 81.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 6-amino-5-cyano-2,3-dihydro-1H-pyrrolizine-7-carboxylate. Following Lipinski's Rule of Five, ethyl 6-amino-5-cyano-2,3-dihydro-1H-pyrrolizine-7-carboxylate has 1 hydrogen bond donor(s) and 4 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-dihydro-1H-pyrrolizine-7-carboxylate?
The CAS number of ethyl 6-amino-5-cyano-2,3-dihydro-1H-pyrrolizine-7-carboxylate is 106345-07-7.
What is the molecular formula of ethyl 6-amino-5-cyano-2,3-dihydro-1H-pyrrolizine-7-carboxylate?
The molecular formula of ethyl 6-amino-5-cyano-2,3-dihydro-1H-pyrrolizine-7-carboxylate is C11H13N3O2.
What is the molecular weight of ethyl 6-amino-5-cyano-2,3-dihydro-1H-pyrrolizine-7-carboxylate?
The molecular weight of ethyl 6-amino-5-cyano-2,3-dihydro-1H-pyrrolizine-7-carboxylate is 219.10 g/mol.
Where can I buy ethyl 6-amino-5-cyano-2,3-dihydro-1H-pyrrolizine-7-carboxylate?
You can request a quote for ethyl 6-amino-5-cyano-2,3-dihydro-1H-pyrrolizine-7-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-dihydro-1H-pyrrolizine-7-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 6-amino-5-cyano-2,3-dihydro-1H-pyrrolizine-7-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.