Carbamic acid, (1,1,3,3-tetramethylbutyl)-, ethyl ester
TL;DR: Carbamic acid, (1,1,3,3-tetramethylbutyl)-, ethyl ester (CAS 21316-23-4) is a chemical compound with molecular formula C11H23NO2 and molecular weight 201.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-(2,4,4-trimethylpentan-2-yl)carbamate
Also Known As: ETHYL TERT-OCTYLCARBAMATE, ethyl N-(2,4,4-trimethylpentan-2-yl)carbamate, ethyl 1,1,3,3-tetramethylbutylcarbamate, ethyl(2,4,4-trimethylpentan-2-yl)carbamate, ethyl (2,4,4-trimethylpentan-2-yl)carbamate
| Molecular Formula | C11H23NO2 |
|---|---|
| Molecular Weight | 201.17 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 201.17288 |
| Heavy Atoms | 14 |
| Complexity | 192.0 |
Chemical Identifiers
| CAS Number | 21316-23-4 |
|---|---|
| SMILES | CCOC(=O)NC(C)(C)CC(C)(C)C |
| InChIKey | LKLZMSSRMNNNBH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Carbamic acid, (1,1,3,3-tetramethylbutyl)-, ethyl ester (CAS 21316-23-4), with molecular formula C11H23NO2 and molecular weight 201.17 g/mol. IUPAC: ethyl N-(2,4,4-trimethylpentan-2-yl)carbamate.
Chemical Property Profile of Carbamic acid, (1,1,3,3-tetramethylbutyl)-, ethyl ester
Property Insights of Carbamic acid, (1,1,3,3-tetramethylbutyl)-, ethyl ester
The XLogP value of 3.0 indicates that Carbamic acid, (1,1,3,3-tetramethylbutyl)-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, Carbamic acid, (1,1,3,3-tetramethylbutyl)-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamic acid, (1,1,3,3-tetramethylbutyl)-, ethyl ester has 1 hydrogen bond donor(s) and 2 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, (1,1,3,3-tetramethylbutyl)-, ethyl ester?
The CAS number of Carbamic acid, (1,1,3,3-tetramethylbutyl)-, ethyl ester is 21316-23-4.
What is the molecular formula of Carbamic acid, (1,1,3,3-tetramethylbutyl)-, ethyl ester?
The molecular formula of Carbamic acid, (1,1,3,3-tetramethylbutyl)-, ethyl ester is C11H23NO2.
What is the molecular weight of Carbamic acid, (1,1,3,3-tetramethylbutyl)-, ethyl ester?
The molecular weight of Carbamic acid, (1,1,3,3-tetramethylbutyl)-, ethyl ester is 201.17 g/mol.
Where can I buy Carbamic acid, (1,1,3,3-tetramethylbutyl)-, ethyl ester?
You can request a quote for Carbamic acid, (1,1,3,3-tetramethylbutyl)-, ethyl 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, (1,1,3,3-tetramethylbutyl)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, (1,1,3,3-tetramethylbutyl)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.