Carbamic acid, propionyl-, 2-ethyl-2-propyltrimethylene ester
TL;DR: Carbamic acid, propionyl-, 2-ethyl-2-propyltrimethylene ester (CAS 31040-11-6) is a chemical compound with molecular formula C16H28N2O6 and molecular weight 344.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-ethyl-4-methyl-3-(propanoylcarbamoyloxy)pentyl] N-propanoylcarbamate
Also Known As: Propionylcarbamic acid 2-ethyl-2-propyltrimethylene ester, Carbamic acid, propionyl-, 2-ethyl-2-propyltrimethylene ester, 2-ethyl-4-methyl-3-[(propanoylcarbamoyl)oxy]pentyl propanoylcarbamate(non-preferred name), [2-ethyl-4-methyl-3-(propanoylcarbamoyloxy)pentyl] N-propanoylcarbamate, N-{[(2-Ethyl-3-{[(1-hydroxypropylidene)carbamoyl]oxy}-4-methylpentyl)oxy]carbonyl}propanimidic acid
| Molecular Formula | C16H28N2O6 |
|---|---|
| Molecular Weight | 344.19 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 344.19473 |
| Heavy Atoms | 24 |
| Complexity | 450.0 |
Chemical Identifiers
| CAS Number | 31040-11-6 |
|---|---|
| SMILES | CCC(COC(=O)NC(=O)CC)C(C(C)C)OC(=O)NC(=O)CC |
| InChIKey | QXSLXBABKHUIOW-UHFFFAOYSA-N |
Product Overview
Carbamic acid, propionyl-, 2-ethyl-2-propyltrimethylene ester (CAS 31040-11-6), with molecular formula C16H28N2O6 and molecular weight 344.19 g/mol. IUPAC: [2-ethyl-4-methyl-3-(propanoylcarbamoyloxy)pentyl] N-propanoylcarbamate.
Chemical Property Profile of Carbamic acid, propionyl-, 2-ethyl-2-propyltrimethylene ester
Property Insights of Carbamic acid, propionyl-, 2-ethyl-2-propyltrimethylene ester
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamic acid, propionyl-, 2-ethyl-2-propyltrimethylene ester. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamic acid, propionyl-, 2-ethyl-2-propyltrimethylene ester. Following Lipinski's Rule of Five, Carbamic acid, propionyl-, 2-ethyl-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, propionyl-, 2-ethyl-2-propyltrimethylene ester?
The CAS number of Carbamic acid, propionyl-, 2-ethyl-2-propyltrimethylene ester is 31040-11-6.
What is the molecular formula of Carbamic acid, propionyl-, 2-ethyl-2-propyltrimethylene ester?
The molecular formula of Carbamic acid, propionyl-, 2-ethyl-2-propyltrimethylene ester is C16H28N2O6.
What is the molecular weight of Carbamic acid, propionyl-, 2-ethyl-2-propyltrimethylene ester?
The molecular weight of Carbamic acid, propionyl-, 2-ethyl-2-propyltrimethylene ester is 344.19 g/mol.
Where can I buy Carbamic acid, propionyl-, 2-ethyl-2-propyltrimethylene ester?
You can request a quote for Carbamic acid, propionyl-, 2-ethyl-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, propionyl-, 2-ethyl-2-propyltrimethylene ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, propionyl-, 2-ethyl-2-propyltrimethylene ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.