ethyl 3-phenylhexahydro-1H-pyrrolizine-1-carboxylate
TL;DR: ethyl 3-phenylhexahydro-1H-pyrrolizine-1-carboxylate (CAS 1005095-99-7) is a chemical compound with molecular formula C16H21NO2 and molecular weight 259.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-phenyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxylate
Also Known As: ZERO/005852, ethyl 3-phenylhexahydro-1H-pyrrolizine-1-carboxylate, ethyl 3-phenylperhydropyrrolizinecarboxylate, ethyl 3-phenyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxylate, ethyl 3-phenylhexahydro-1{H}-pyrrolizine-1-carboxylate
| Molecular Formula | C16H21NO2 |
|---|---|
| Molecular Weight | 259.16 g/mol |
| LogP | 2.7751 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 259.15723 |
| Heavy Atoms | 19 |
| Complexity | 445.32196 |
Chemical Identifiers
| CAS Number | 1005095-99-7 |
|---|---|
| SMILES | CCOC(=O)C1CC(N2C1CCC2)C3=CC=CC=C3 |
Product Overview
ethyl 3-phenylhexahydro-1H-pyrrolizine-1-carboxylate (CAS 1005095-99-7), with molecular formula C16H21NO2 and molecular weight 259.16 g/mol. IUPAC: ethyl 3-phenyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxylate.
Chemical Property Profile of ethyl 3-phenylhexahydro-1H-pyrrolizine-1-carboxylate
Property Insights of ethyl 3-phenylhexahydro-1H-pyrrolizine-1-carboxylate
The XLogP value of 2.7751 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 3-phenylhexahydro-1H-pyrrolizine-1-carboxylate. With a topological polar surface area (TPSA) of 29.54 Ų, ethyl 3-phenylhexahydro-1H-pyrrolizine-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 3-phenylhexahydro-1H-pyrrolizine-1-carboxylate has 0 hydrogen bond donor(s) and 3 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 3-phenylhexahydro-1H-pyrrolizine-1-carboxylate?
The CAS number of ethyl 3-phenylhexahydro-1H-pyrrolizine-1-carboxylate is 1005095-99-7.
What is the molecular formula of ethyl 3-phenylhexahydro-1H-pyrrolizine-1-carboxylate?
The molecular formula of ethyl 3-phenylhexahydro-1H-pyrrolizine-1-carboxylate is C16H21NO2.
What is the molecular weight of ethyl 3-phenylhexahydro-1H-pyrrolizine-1-carboxylate?
The molecular weight of ethyl 3-phenylhexahydro-1H-pyrrolizine-1-carboxylate is 259.16 g/mol.
Where can I buy ethyl 3-phenylhexahydro-1H-pyrrolizine-1-carboxylate?
You can request a quote for ethyl 3-phenylhexahydro-1H-pyrrolizine-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 3-phenylhexahydro-1H-pyrrolizine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-phenylhexahydro-1H-pyrrolizine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.