Benzyl N-(1-phenylcyclopropyl)carbamate
TL;DR: Benzyl N-(1-phenylcyclopropyl)carbamate (CAS 132401-78-6) is a chemical compound with molecular formula C20H30N2O11 and molecular weight 474.18497 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(diethylamino)ethyl 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetate;oxalic acid
Also Known As: Benzyl N-(1-phenylcyclopropyl)carbamate, Acetic acid, ((2-ethyl-6-methyl-3-pyridinyl)oxy)-, 2-(diethylamino)ethyl ester, ethanedioate (1:2), 2-diethylaminoethyl 2-(2-ethyl-6-methylpyridin-3-yl)oxyacetate; oxalic acid, 2-(diethylamino)ethyl 2-(2-ethyl-6-methylpyridin-3-yl)oxyacetate,oxalic acid, Oxalic acid--2-(diethylamino)ethyl [(2-ethyl-6-methylpyridin-3-yl)oxy]acetate (2/1)
Technical Specifications
| Molecular Formula | C20H30N2O11 |
| Molecular Weight | 474.18497 g/mol |
| XLogP | 0.52742 |
| Topological Polar Surface Area (TPSA) | 201.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 12 |
| Exact Mass | 474.18497 Da |
| Heavy Atoms | 33 |
| Complexity | 367.0 |
| SMILES | CCC1=C(C=CC(=N1)C)OCC(=O)OCCN(CC)CC.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O |
| InChIKey | VFWZAVBBXAGVTI-UHFFFAOYSA-N |
Chemical Property Profile of Benzyl N-(1-phenylcyclopropyl)carbamate
Property Insights of Benzyl N-(1-phenylcyclopropyl)carbamate
The XLogP value of 0.52742 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl N-(1-phenylcyclopropyl)carbamate. The TPSA of 201.0 Ų indicates high polarity, suggesting Benzyl N-(1-phenylcyclopropyl)carbamate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzyl N-(1-phenylcyclopropyl)carbamate has 4 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Benzyl N-(1-phenylcyclopropyl)carbamate?
The CAS number of Benzyl N-(1-phenylcyclopropyl)carbamate is 132401-78-6.
What is the molecular formula of Benzyl N-(1-phenylcyclopropyl)carbamate?
The molecular formula of Benzyl N-(1-phenylcyclopropyl)carbamate is C20H30N2O11.
What is the molecular weight of Benzyl N-(1-phenylcyclopropyl)carbamate?
The molecular weight of Benzyl N-(1-phenylcyclopropyl)carbamate is 474.18497 g/mol.
Where can I buy Benzyl N-(1-phenylcyclopropyl)carbamate?
You can request a quote for Benzyl N-(1-phenylcyclopropyl)carbamate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzyl N-(1-phenylcyclopropyl)carbamate?
Yes, CoreyChem provides custom synthesis services for Benzyl N-(1-phenylcyclopropyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.