Carbamic acid, 2-ethylhexyl ester
TL;DR: Carbamic acid, 2-ethylhexyl ester (CAS 4248-21-9) is a chemical compound with molecular formula C9H19NO2 and molecular weight 173.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylhexyl carbamate
Also Known As: 2-Ethylhexyl carbamate, 2-ethylhexylcarbamate, 2-ethylhexylcarba-mate, Carbamic acid, 2-ethylhexyl ester, 3-Carbamoyloxymethyl-heptan
| Molecular Formula | C9H19NO2 |
|---|---|
| Molecular Weight | 173.14 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 173.14159 |
| Heavy Atoms | 12 |
| Complexity | 126.0 |
Chemical Identifiers
| CAS Number | 4248-21-9 |
|---|---|
| SMILES | CCCCC(CC)COC(=O)N |
| InChIKey | OZDFMZUKOBBNHM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Carbamic acid, 2-ethylhexyl ester (CAS 4248-21-9), with molecular formula C9H19NO2 and molecular weight 173.14 g/mol. IUPAC: 2-ethylhexyl carbamate.
Chemical Property Profile of Carbamic acid, 2-ethylhexyl ester
Property Insights of Carbamic acid, 2-ethylhexyl ester
The XLogP value of 3.1 indicates that Carbamic acid, 2-ethylhexyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.3 Ų, Carbamic acid, 2-ethylhexyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamic acid, 2-ethylhexyl 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, 2-ethylhexyl ester?
The CAS number of Carbamic acid, 2-ethylhexyl ester is 4248-21-9.
What is the molecular formula of Carbamic acid, 2-ethylhexyl ester?
The molecular formula of Carbamic acid, 2-ethylhexyl ester is C9H19NO2.
What is the molecular weight of Carbamic acid, 2-ethylhexyl ester?
The molecular weight of Carbamic acid, 2-ethylhexyl ester is 173.14 g/mol.
Where can I buy Carbamic acid, 2-ethylhexyl ester?
You can request a quote for Carbamic acid, 2-ethylhexyl 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, 2-ethylhexyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, 2-ethylhexyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.