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 255.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C13H21NO4 |
|---|---|
| Molecular Weight | 255.15 g/mol |
| LogP | 0.8214 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 255.14706 |
| Heavy Atoms | 18 |
| Complexity | 366.00275 |
Chemical Identifiers
| CAS Number | 1005095-75-9 |
|---|---|
| SMILES | CC1(C(C(C2N1CCC2)C(=O)OC)C(=O)OC)C |
Product Overview
dimethyl 3,3-dimethylhexahydro-1H-pyrrolizine-1,2-dicarboxylate (CAS 1005095-75-9), with molecular formula C13H21NO4 and molecular weight 255.15 g/mol. IUPAC: dimethyl 3,3-dimethyl-1,2,5,6,7,8-hexahydropyrrolizine-1,2-dicarboxylate.
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 0.8214 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 55.84 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
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 255.15 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dimethyl 3,3-dimethylhexahydro-1H-pyrrolizine-1,2-dicarboxylate?
Yes, KEHONG BIO 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.