methyl 2,3,5,6-tetrahydro-1H-pyrrolizine-7-carboxylate
TL;DR: methyl 2,3,5,6-tetrahydro-1H-pyrrolizine-7-carboxylate (CAS 87281-38-7) is a chemical compound with molecular formula C9H13NO2 and molecular weight 167.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3,5,6,7-tetrahydro-2H-pyrrolizine-1-carboxylate
Also Known As: methyl 2,3,5,6-tetrahydro-1H-pyrrolizine-7-carboxylate, methyl 3,5,6,7-tetrahydro-2H-pyrrolizine-1-carboxylate, 2,3,4,5,6,7-hexahydro-pyrrolizine-1-carboxylic acid methyl ester, 2,5,6,7-Tetrahydro-3H-pyrrolizine-1-carboxylic acid methyl ester
| Molecular Formula | C9H13NO2 |
|---|---|
| Molecular Weight | 167.09 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 167.09464 |
| Heavy Atoms | 12 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 87281-38-7 |
|---|---|
| SMILES | COC(=O)C1=C2CCCN2CC1 |
| InChIKey | SBCYQDMUEKOUIC-UHFFFAOYSA-N |
Product Overview
methyl 2,3,5,6-tetrahydro-1H-pyrrolizine-7-carboxylate (CAS 87281-38-7), with molecular formula C9H13NO2 and molecular weight 167.09 g/mol. IUPAC: methyl 3,5,6,7-tetrahydro-2H-pyrrolizine-1-carboxylate.
Chemical Property Profile of methyl 2,3,5,6-tetrahydro-1H-pyrrolizine-7-carboxylate
Property Insights of methyl 2,3,5,6-tetrahydro-1H-pyrrolizine-7-carboxylate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2,3,5,6-tetrahydro-1H-pyrrolizine-7-carboxylate. With a topological polar surface area (TPSA) of 29.5 Ų, methyl 2,3,5,6-tetrahydro-1H-pyrrolizine-7-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 2,3,5,6-tetrahydro-1H-pyrrolizine-7-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-tetrahydro-1H-pyrrolizine-7-carboxylate?
The CAS number of methyl 2,3,5,6-tetrahydro-1H-pyrrolizine-7-carboxylate is 87281-38-7.
What is the molecular formula of methyl 2,3,5,6-tetrahydro-1H-pyrrolizine-7-carboxylate?
The molecular formula of methyl 2,3,5,6-tetrahydro-1H-pyrrolizine-7-carboxylate is C9H13NO2.
What is the molecular weight of methyl 2,3,5,6-tetrahydro-1H-pyrrolizine-7-carboxylate?
The molecular weight of methyl 2,3,5,6-tetrahydro-1H-pyrrolizine-7-carboxylate is 167.09 g/mol.
Where can I buy methyl 2,3,5,6-tetrahydro-1H-pyrrolizine-7-carboxylate?
You can request a quote for methyl 2,3,5,6-tetrahydro-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 methyl 2,3,5,6-tetrahydro-1H-pyrrolizine-7-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2,3,5,6-tetrahydro-1H-pyrrolizine-7-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.