dimethyl 3,3-dimethylhexahydro-1H-pyrrolizine-1,2-dicarboxylate
TL;DR: dimethyl 3,3-dimethylhexahydro-1H-pyrrolizine-1,2-dicarboxylate (CAS 1005095-75-9) is a chemical compound with molecular formula C13H21NO4 and molecular weight 255.14706 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dimethyl 3,3-dimethyl-1,2,5,6,7,8-hexahydropyrrolizine-1,2-dicarboxylate
Also Known As: ZERO/004685, dimethyl 3,3-dimethylhexahydro-1H-pyrrolizine-1,2-dicarboxylate, dimethyl 3,3-dimethyl-1,2,5,6,7,8-hexahydropyrrolizine-1,2-dicarboxylate, dimethyl 3,3-dimethylhexahydro-1{H}-pyrrolizine-1,2-dicarboxylate, methyl 2-(methoxycarbonyl)-3,3-dimethylperhydropyrrolizinecarboxylate
Technical Specifications
| Molecular Formula | C13H21NO4 |
| Molecular Weight | 255.14706 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 255.14706 Da |
| Heavy Atoms | 18 |
| Complexity | 366.0 |
| SMILES | CC1(C(C(C2N1CCC2)C(=O)OC)C(=O)OC)C |
| InChIKey | QZOLDQZLTJTYLN-UHFFFAOYSA-N |
Chemical Property Profile of dimethyl 3,3-dimethylhexahydro-1H-pyrrolizine-1,2-dicarboxylate
Property Insights of dimethyl 3,3-dimethylhexahydro-1H-pyrrolizine-1,2-dicarboxylate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for dimethyl 3,3-dimethylhexahydro-1H-pyrrolizine-1,2-dicarboxylate. With a topological polar surface area (TPSA) of 55.8 Ų, dimethyl 3,3-dimethylhexahydro-1H-pyrrolizine-1,2-dicarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, dimethyl 3,3-dimethylhexahydro-1H-pyrrolizine-1,2-dicarboxylate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of dimethyl 3,3-dimethylhexahydro-1H-pyrrolizine-1,2-dicarboxylate?
The CAS number of dimethyl 3,3-dimethylhexahydro-1H-pyrrolizine-1,2-dicarboxylate is 1005095-75-9.
What is the molecular formula of dimethyl 3,3-dimethylhexahydro-1H-pyrrolizine-1,2-dicarboxylate?
The molecular formula of dimethyl 3,3-dimethylhexahydro-1H-pyrrolizine-1,2-dicarboxylate is C13H21NO4.
What is the molecular weight of dimethyl 3,3-dimethylhexahydro-1H-pyrrolizine-1,2-dicarboxylate?
The molecular weight of dimethyl 3,3-dimethylhexahydro-1H-pyrrolizine-1,2-dicarboxylate is 255.14706 g/mol.
Where can I buy dimethyl 3,3-dimethylhexahydro-1H-pyrrolizine-1,2-dicarboxylate?
You can request a quote for dimethyl 3,3-dimethylhexahydro-1H-pyrrolizine-1,2-dicarboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for dimethyl 3,3-dimethylhexahydro-1H-pyrrolizine-1,2-dicarboxylate?
Yes, CoreyChem provides custom synthesis services for dimethyl 3,3-dimethylhexahydro-1H-pyrrolizine-1,2-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.