1,5-Dimethyl 2-isocyanopentanedioate
TL;DR: 1,5-Dimethyl 2-isocyanopentanedioate (CAS 1179359-47-7) is a chemical compound with molecular formula C8H11NO4 and molecular weight 185.0688 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dimethyl 2-isocyanopentanedioate
Also Known As: Dimethyl-2-isocyanoglutarate, Dimethyl 2-isocyanopentanedioate, 1,5-DIMETHYL 2-ISOCYANOPENTANEDIOATE, 2-ISOCYANOGLUTARIC ACID DIMETHYL ESTER, 100-049-9
Technical Specifications
| Molecular Formula | C8H11NO4 |
| Molecular Weight | 185.0688 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 57.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 185.0688 Da |
| Heavy Atoms | 13 |
| Complexity | 240.0 |
| SMILES | COC(=O)CCC(C(=O)OC)[N+]#[C-] |
| InChIKey | GMIVCMAUMKZQEO-UHFFFAOYSA-N |
Chemical Property Profile of 1,5-Dimethyl 2-isocyanopentanedioate
Property Insights of 1,5-Dimethyl 2-isocyanopentanedioate
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,5-Dimethyl 2-isocyanopentanedioate. With a topological polar surface area (TPSA) of 57.0 Ų, 1,5-Dimethyl 2-isocyanopentanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,5-Dimethyl 2-isocyanopentanedioate 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 1,5-Dimethyl 2-isocyanopentanedioate?
The CAS number of 1,5-Dimethyl 2-isocyanopentanedioate is 1179359-47-7.
What is the molecular formula of 1,5-Dimethyl 2-isocyanopentanedioate?
The molecular formula of 1,5-Dimethyl 2-isocyanopentanedioate is C8H11NO4.
What is the molecular weight of 1,5-Dimethyl 2-isocyanopentanedioate?
The molecular weight of 1,5-Dimethyl 2-isocyanopentanedioate is 185.0688 g/mol.
Where can I buy 1,5-Dimethyl 2-isocyanopentanedioate?
You can request a quote for 1,5-Dimethyl 2-isocyanopentanedioate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,5-Dimethyl 2-isocyanopentanedioate?
Yes, CoreyChem provides custom synthesis services for 1,5-Dimethyl 2-isocyanopentanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.