Carbamic acid, acetyl-, 2-methyl-2-propyltrimethylene ester
TL;DR: Carbamic acid, acetyl-, 2-methyl-2-propyltrimethylene ester (CAS 1672-86-2) is a chemical compound with molecular formula C13H22N2O6 and molecular weight 302.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(acetylcarbamoyloxymethyl)-2-methylpentyl] N-acetylcarbamate
Also Known As: Carbamic acid, acetyl-, 2-methyl-2-propyltrimethylene ester, Acetylcarbamic acid 2-methyl-2-propyltrimethylene ester, 4-03-00-00073 (Beilstein Handbook Reference), [2-(acetylcarbamoyloxymethyl)-2-methylpentyl] N-acetylcarbamate, 2-{[(Acetylcarbamoyl)oxy]methyl}-2-methylpentyl acetylcarbamate
| Molecular Formula | C13H22N2O6 |
|---|---|
| Molecular Weight | 302.15 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 302.1478 |
| Heavy Atoms | 21 |
| Complexity | 375.0 |
Chemical Identifiers
| CAS Number | 1672-86-2 |
|---|---|
| SMILES | CCCC(C)(COC(=O)NC(=O)C)COC(=O)NC(=O)C |
| InChIKey | ZUEHRQNETQMIHD-UHFFFAOYSA-N |
Product Overview
Carbamic acid, acetyl-, 2-methyl-2-propyltrimethylene ester (CAS 1672-86-2), with molecular formula C13H22N2O6 and molecular weight 302.15 g/mol. IUPAC: [2-(acetylcarbamoyloxymethyl)-2-methylpentyl] N-acetylcarbamate.
Chemical Property Profile of Carbamic acid, acetyl-, 2-methyl-2-propyltrimethylene ester
Property Insights of Carbamic acid, acetyl-, 2-methyl-2-propyltrimethylene ester
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamic acid, acetyl-, 2-methyl-2-propyltrimethylene ester. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamic acid, acetyl-, 2-methyl-2-propyltrimethylene ester. Following Lipinski's Rule of Five, Carbamic acid, acetyl-, 2-methyl-2-propyltrimethylene ester has 2 hydrogen bond donor(s) and 6 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 Carbamic acid, acetyl-, 2-methyl-2-propyltrimethylene ester?
The CAS number of Carbamic acid, acetyl-, 2-methyl-2-propyltrimethylene ester is 1672-86-2.
What is the molecular formula of Carbamic acid, acetyl-, 2-methyl-2-propyltrimethylene ester?
The molecular formula of Carbamic acid, acetyl-, 2-methyl-2-propyltrimethylene ester is C13H22N2O6.
What is the molecular weight of Carbamic acid, acetyl-, 2-methyl-2-propyltrimethylene ester?
The molecular weight of Carbamic acid, acetyl-, 2-methyl-2-propyltrimethylene ester is 302.15 g/mol.
Where can I buy Carbamic acid, acetyl-, 2-methyl-2-propyltrimethylene ester?
You can request a quote for Carbamic acid, acetyl-, 2-methyl-2-propyltrimethylene ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamic acid, acetyl-, 2-methyl-2-propyltrimethylene ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, acetyl-, 2-methyl-2-propyltrimethylene ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.