Carbamic acid, acetyl-, 2-sec-butyl-2-methyltrimethylene ester
TL;DR: Carbamic acid, acetyl-, 2-sec-butyl-2-methyltrimethylene ester (CAS 31040-09-2) is a chemical compound with molecular formula C14H24N2O6 and molecular weight 316.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(acetylcarbamoyloxymethyl)-2,3-dimethylpentyl] N-acetylcarbamate
Also Known As: Acetylcarbamic acid 2-sec-butyl-2-methyltrimethylene ester, Carbamic acid, acetyl-, 2-sec-butyl-2-methyltrimethylene ester, [2-(acetylcarbamoyloxymethyl)-2,3-dimethylpentyl] N-acetylcarbamate, 2-{[(acetylcarbamoyl)oxy]methyl}-2,3-dimethylpentyl acetylcarbamate(non-preferred name), RefChem:1080865
| Molecular Formula | C14H24N2O6 |
|---|---|
| Molecular Weight | 316.16 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 316.16342 |
| Heavy Atoms | 22 |
| Complexity | 403.0 |
Chemical Identifiers
| CAS Number | 31040-09-2 |
|---|---|
| SMILES | CCC(C)C(C)(COC(=O)NC(=O)C)COC(=O)NC(=O)C |
| InChIKey | SVWANSQXDBGPBS-UHFFFAOYSA-N |
Product Overview
Carbamic acid, acetyl-, 2-sec-butyl-2-methyltrimethylene ester (CAS 31040-09-2), with molecular formula C14H24N2O6 and molecular weight 316.16 g/mol. IUPAC: [2-(acetylcarbamoyloxymethyl)-2,3-dimethylpentyl] N-acetylcarbamate.
Chemical Property Profile of Carbamic acid, acetyl-, 2-sec-butyl-2-methyltrimethylene ester
Property Insights of Carbamic acid, acetyl-, 2-sec-butyl-2-methyltrimethylene ester
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamic acid, acetyl-, 2-sec-butyl-2-methyltrimethylene ester. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamic acid, acetyl-, 2-sec-butyl-2-methyltrimethylene ester. Following Lipinski's Rule of Five, Carbamic acid, acetyl-, 2-sec-butyl-2-methyltrimethylene 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-sec-butyl-2-methyltrimethylene ester?
The CAS number of Carbamic acid, acetyl-, 2-sec-butyl-2-methyltrimethylene ester is 31040-09-2.
What is the molecular formula of Carbamic acid, acetyl-, 2-sec-butyl-2-methyltrimethylene ester?
The molecular formula of Carbamic acid, acetyl-, 2-sec-butyl-2-methyltrimethylene ester is C14H24N2O6.
What is the molecular weight of Carbamic acid, acetyl-, 2-sec-butyl-2-methyltrimethylene ester?
The molecular weight of Carbamic acid, acetyl-, 2-sec-butyl-2-methyltrimethylene ester is 316.16 g/mol.
Where can I buy Carbamic acid, acetyl-, 2-sec-butyl-2-methyltrimethylene ester?
You can request a quote for Carbamic acid, acetyl-, 2-sec-butyl-2-methyltrimethylene 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-sec-butyl-2-methyltrimethylene ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, acetyl-, 2-sec-butyl-2-methyltrimethylene ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.