3-tert-Butoxy-2-isocyanatopropionic acid methylester
TL;DR: 3-tert-Butoxy-2-isocyanatopropionic acid methylester (CAS 145080-94-0) is a chemical compound with molecular formula C9H15NO4 and molecular weight 201.10011 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-isocyanato-3-[(2-methylpropan-2-yl)oxy]propanoate
Also Known As: Not Available, 3-tert-Butoxy-2-isocyanatopropionic acid methylester, Methyl (S)-(+)-2-Isocyanato-3-tert-butoxypropionate, methyl 3-tert-butoxy-2-isocyanato-propanoate, methyl 3-(tert-butoxy)-2-isocyanatopropanoate
Technical Specifications
| Molecular Formula | C9H15NO4 |
| Molecular Weight | 201.10011 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 65.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 201.10011 Da |
| Heavy Atoms | 14 |
| Complexity | 238.0 |
| SMILES | CC(C)(C)OCC(C(=O)OC)N=C=O |
| InChIKey | MMWNVZFZWRLTCL-UHFFFAOYSA-N |
Chemical Property Profile of 3-tert-Butoxy-2-isocyanatopropionic acid methylester
Property Insights of 3-tert-Butoxy-2-isocyanatopropionic acid methylester
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-tert-Butoxy-2-isocyanatopropionic acid methylester. The TPSA of 65.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-tert-Butoxy-2-isocyanatopropionic acid methylester. Following Lipinski's Rule of Five, 3-tert-Butoxy-2-isocyanatopropionic acid methylester 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 3-tert-Butoxy-2-isocyanatopropionic acid methylester?
The CAS number of 3-tert-Butoxy-2-isocyanatopropionic acid methylester is 145080-94-0.
What is the molecular formula of 3-tert-Butoxy-2-isocyanatopropionic acid methylester?
The molecular formula of 3-tert-Butoxy-2-isocyanatopropionic acid methylester is C9H15NO4.
What is the molecular weight of 3-tert-Butoxy-2-isocyanatopropionic acid methylester?
The molecular weight of 3-tert-Butoxy-2-isocyanatopropionic acid methylester is 201.10011 g/mol.
Where can I buy 3-tert-Butoxy-2-isocyanatopropionic acid methylester?
You can request a quote for 3-tert-Butoxy-2-isocyanatopropionic acid methylester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-tert-Butoxy-2-isocyanatopropionic acid methylester?
Yes, CoreyChem provides custom synthesis services for 3-tert-Butoxy-2-isocyanatopropionic acid methylester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.