Carbamic acid, benzyl-, 2,2-diethyltrimethylene ester
TL;DR: Carbamic acid, benzyl-, 2,2-diethyltrimethylene ester (CAS 31075-20-4) is a chemical compound with molecular formula C23H30N2O4 and molecular weight 398.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(benzylcarbamoyloxymethyl)-2-ethylbutyl] N-benzylcarbamate
Also Known As: Benzylcarbamic acid 2,2-diethyltrimethylene ester, Carbamic acid, benzyl-, 2,2-diethyltrimethylene ester, [2-(benzylcarbamoyloxymethyl)-2-ethylbutyl] N-benzylcarbamate, 2-{[(benzylcarbamoyl)oxy]methyl}-2-ethylbutyl benzylcarbamate(non-preferred name), RefChem:1080870
| Molecular Formula | C23H30N2O4 |
|---|---|
| Molecular Weight | 398.22 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 76.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 398.22055 |
| Heavy Atoms | 29 |
| Complexity | 441.0 |
Chemical Identifiers
| CAS Number | 31075-20-4 |
|---|---|
| SMILES | CCC(CC)(COC(=O)NCC1=CC=CC=C1)COC(=O)NCC2=CC=CC=C2 |
| InChIKey | QYIYYSRPJRXKFX-UHFFFAOYSA-N |
Product Overview
Carbamic acid, benzyl-, 2,2-diethyltrimethylene ester (CAS 31075-20-4), with molecular formula C23H30N2O4 and molecular weight 398.22 g/mol. IUPAC: [2-(benzylcarbamoyloxymethyl)-2-ethylbutyl] N-benzylcarbamate.
Chemical Property Profile of Carbamic acid, benzyl-, 2,2-diethyltrimethylene ester
Property Insights of Carbamic acid, benzyl-, 2,2-diethyltrimethylene ester
The XLogP value of 4.6 indicates that Carbamic acid, benzyl-, 2,2-diethyltrimethylene ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamic acid, benzyl-, 2,2-diethyltrimethylene ester. Following Lipinski's Rule of Five, Carbamic acid, benzyl-, 2,2-diethyltrimethylene ester has 2 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 Carbamic acid, benzyl-, 2,2-diethyltrimethylene ester?
The CAS number of Carbamic acid, benzyl-, 2,2-diethyltrimethylene ester is 31075-20-4.
What is the molecular formula of Carbamic acid, benzyl-, 2,2-diethyltrimethylene ester?
The molecular formula of Carbamic acid, benzyl-, 2,2-diethyltrimethylene ester is C23H30N2O4.
What is the molecular weight of Carbamic acid, benzyl-, 2,2-diethyltrimethylene ester?
The molecular weight of Carbamic acid, benzyl-, 2,2-diethyltrimethylene ester is 398.22 g/mol.
Where can I buy Carbamic acid, benzyl-, 2,2-diethyltrimethylene ester?
You can request a quote for Carbamic acid, benzyl-, 2,2-diethyltrimethylene 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, benzyl-, 2,2-diethyltrimethylene ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, benzyl-, 2,2-diethyltrimethylene ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.