dimethyl 5-methyl-2,3-dihydro-1H-pyrrolizine-6,7-dicarboxylate
TL;DR: dimethyl 5-methyl-2,3-dihydro-1H-pyrrolizine-6,7-dicarboxylate (CAS 13712-60-2) is a chemical compound with molecular formula C12H15NO4 and molecular weight 237.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 3-methyl-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxylate
Also Known As: IFLab1_004271, ZERO/004918, IDI1_010026, BAS 02976445, dimethyl 5-methyl-2,3-dihydro-1H-pyrrolizine-6,7-dicarboxylate
| Molecular Formula | C12H15NO4 |
|---|---|
| Molecular Weight | 237.10 g/mol |
| LogP | 1.31592 |
| Topological Polar Surface Area | 57.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 237.10011 |
| Heavy Atoms | 17 |
| Complexity | 487.18533 |
Chemical Identifiers
| CAS Number | 13712-60-2 |
|---|---|
| SMILES | CC1=C(C(=C2N1CCC2)C(=O)OC)C(=O)OC |
Product Overview
dimethyl 5-methyl-2,3-dihydro-1H-pyrrolizine-6,7-dicarboxylate (CAS 13712-60-2), with molecular formula C12H15NO4 and molecular weight 237.10 g/mol. IUPAC: dimethyl 3-methyl-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxylate.
Chemical Property Profile of dimethyl 5-methyl-2,3-dihydro-1H-pyrrolizine-6,7-dicarboxylate
Property Insights of dimethyl 5-methyl-2,3-dihydro-1H-pyrrolizine-6,7-dicarboxylate
The XLogP value of 1.31592 suggests moderate lipophilicity, balancing water solubility and membrane permeability for dimethyl 5-methyl-2,3-dihydro-1H-pyrrolizine-6,7-dicarboxylate. With a topological polar surface area (TPSA) of 57.53 Ų, dimethyl 5-methyl-2,3-dihydro-1H-pyrrolizine-6,7-dicarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, dimethyl 5-methyl-2,3-dihydro-1H-pyrrolizine-6,7-dicarboxylate has 0 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 dimethyl 5-methyl-2,3-dihydro-1H-pyrrolizine-6,7-dicarboxylate?
The CAS number of dimethyl 5-methyl-2,3-dihydro-1H-pyrrolizine-6,7-dicarboxylate is 13712-60-2.
What is the molecular formula of dimethyl 5-methyl-2,3-dihydro-1H-pyrrolizine-6,7-dicarboxylate?
The molecular formula of dimethyl 5-methyl-2,3-dihydro-1H-pyrrolizine-6,7-dicarboxylate is C12H15NO4.
What is the molecular weight of dimethyl 5-methyl-2,3-dihydro-1H-pyrrolizine-6,7-dicarboxylate?
The molecular weight of dimethyl 5-methyl-2,3-dihydro-1H-pyrrolizine-6,7-dicarboxylate is 237.10 g/mol.
Where can I buy dimethyl 5-methyl-2,3-dihydro-1H-pyrrolizine-6,7-dicarboxylate?
You can request a quote for dimethyl 5-methyl-2,3-dihydro-1H-pyrrolizine-6,7-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dimethyl 5-methyl-2,3-dihydro-1H-pyrrolizine-6,7-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 5-methyl-2,3-dihydro-1H-pyrrolizine-6,7-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.