![(2-{[(diethylcarbamoyl)oxy]methyl}-2-methylpentyl)ethylcarbamic acid structure](/static/products/3105/31053-68-6.webp)
(2-{[(diethylcarbamoyl)oxy]methyl}-2-methylpentyl)ethylcarbamic acid
TL;DR: (2-{[(diethylcarbamoyl)oxy]methyl}-2-methylpentyl)ethylcarbamic acid (CAS 31053-68-6) is a chemical compound with molecular formula C15H30N2O4 and molecular weight 302.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(diethylcarbamoyloxymethyl)-2-methylpentyl]-ethylcarbamic acid
Also Known As: (2-{[(diethylcarbamoyl)oxy]methyl}-2-methylpentyl)ethylcarbamic acid, Diethylcarbamic acid 2-(hydroxymethyl)-2-methylpentyl ester ethylcarbamate (ester), Carbamic acid, diethyl-, 2-(hydroxymethyl)-2-methylpentyl ester, ethylcarbamate (ester), N.N.N'-Triethyl-2-methyl-2-propyl-1.3-dicarbamoyloxy-propan, [2-(diethylcarbamoyloxymethyl)-2-methylpentyl]-ethylcarbamic acid
| Molecular Formula | C15H30N2O4 |
|---|---|
| Molecular Weight | 302.22 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 70.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 302.22055 |
| Heavy Atoms | 21 |
| Complexity | 332.0 |
Chemical Identifiers
| CAS Number | 31053-68-6 |
|---|---|
| SMILES | CCCC(C)(CN(CC)C(=O)O)COC(=O)N(CC)CC |
| InChIKey | JNOKEPZOXZKFMG-UHFFFAOYSA-N |
Product Overview
(2-{[(diethylcarbamoyl)oxy]methyl}-2-methylpentyl)ethylcarbamic acid (CAS 31053-68-6), with molecular formula C15H30N2O4 and molecular weight 302.22 g/mol. IUPAC: [2-(diethylcarbamoyloxymethyl)-2-methylpentyl]-ethylcarbamic acid.
Chemical Property Profile of (2-{[(diethylcarbamoyl)oxy]methyl}-2-methylpentyl)ethylcarbamic acid
Property Insights of (2-{[(diethylcarbamoyl)oxy]methyl}-2-methylpentyl)ethylcarbamic acid
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-{[(diethylcarbamoyl)oxy]methyl}-2-methylpentyl)ethylcarbamic acid. The TPSA of 70.1 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-{[(diethylcarbamoyl)oxy]methyl}-2-methylpentyl)ethylcarbamic acid. Following Lipinski's Rule of Five, (2-{[(diethylcarbamoyl)oxy]methyl}-2-methylpentyl)ethylcarbamic acid has 1 hydrogen bond donor(s) and 4 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 (2-{[(diethylcarbamoyl)oxy]methyl}-2-methylpentyl)ethylcarbamic acid?
The CAS number of (2-{[(diethylcarbamoyl)oxy]methyl}-2-methylpentyl)ethylcarbamic acid is 31053-68-6.
What is the molecular formula of (2-{[(diethylcarbamoyl)oxy]methyl}-2-methylpentyl)ethylcarbamic acid?
The molecular formula of (2-{[(diethylcarbamoyl)oxy]methyl}-2-methylpentyl)ethylcarbamic acid is C15H30N2O4.
What is the molecular weight of (2-{[(diethylcarbamoyl)oxy]methyl}-2-methylpentyl)ethylcarbamic acid?
The molecular weight of (2-{[(diethylcarbamoyl)oxy]methyl}-2-methylpentyl)ethylcarbamic acid is 302.22 g/mol.
Where can I buy (2-{[(diethylcarbamoyl)oxy]methyl}-2-methylpentyl)ethylcarbamic acid?
You can request a quote for (2-{[(diethylcarbamoyl)oxy]methyl}-2-methylpentyl)ethylcarbamic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-{[(diethylcarbamoyl)oxy]methyl}-2-methylpentyl)ethylcarbamic acid?
Yes, KEHONG BIO provides custom synthesis services for (2-{[(diethylcarbamoyl)oxy]methyl}-2-methylpentyl)ethylcarbamic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.