methyl 2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxylate
TL;DR: methyl 2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxylate (CAS 22269-11-0) is a chemical compound with molecular formula C9H15NO2 and molecular weight 169.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxylate
Also Known As: Chysin A, Methyl hexahydro-1H-pyrrolizine-1-carboxylate, Methyl pyrrolizidine-1-carboxylate, 1H-Pyrrolizine-1-carboxylic acid, hexahydro-, methyl ester, methyl 2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxylate
| Molecular Formula | C9H15NO2 |
|---|---|
| Molecular Weight | 169.11 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 169.11028 |
| Heavy Atoms | 12 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 22269-11-0 |
|---|---|
| SMILES | COC(=O)C1CCN2C1CCC2 |
| InChIKey | CFWZLIYRMYFCIH-UHFFFAOYSA-N |
Product Overview
methyl 2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxylate (CAS 22269-11-0), with molecular formula C9H15NO2 and molecular weight 169.11 g/mol. IUPAC: methyl 2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxylate.
Chemical Property Profile of methyl 2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxylate
Property Insights of methyl 2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxylate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxylate. With a topological polar surface area (TPSA) of 29.5 Ų, methyl 2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 2,3,5,6,7,8-hexahydro-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 methyl 2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxylate?
The CAS number of methyl 2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxylate is 22269-11-0.
What is the molecular formula of methyl 2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxylate?
The molecular formula of methyl 2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxylate is C9H15NO2.
What is the molecular weight of methyl 2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxylate?
The molecular weight of methyl 2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxylate is 169.11 g/mol.
Where can I buy methyl 2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxylate?
You can request a quote for methyl 2,3,5,6,7,8-hexahydro-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 methyl 2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.