2-Ethyl-2-(hydroxymethyl)hexyl hydrogen ethylcarbonimidate
TL;DR: 2-Ethyl-2-(hydroxymethyl)hexyl hydrogen ethylcarbonimidate (CAS 25384-53-6) is a chemical compound with molecular formula C12H25NO3 and molecular weight 231.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-ethyl-2-(hydroxymethyl)hexyl] N-ethylcarbamate
Also Known As: 2-Butyl-2-ethyl-1,3-propanediol ethylcarbamate, 2-ethyl-2-(hydroxymethyl)hexyl ethylcarbamate, 1,3-Propanediol, 2-butyl-2-ethyl-, ethylcarbamate, 2-Ethyl-2-(hydroxymethyl)hexyl=ethylcarbamate, [2-ethyl-2-(hydroxymethyl)hexyl] N-ethylcarbamate
| Molecular Formula | C12H25NO3 |
|---|---|
| Molecular Weight | 231.18 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 231.18344 |
| Heavy Atoms | 16 |
| Complexity | 197.0 |
Chemical Identifiers
| CAS Number | 25384-53-6 |
|---|---|
| SMILES | CCCCC(CC)(CO)COC(=O)NCC |
| InChIKey | NLQAPNFYYXMZEG-UHFFFAOYSA-N |
Product Overview
2-Ethyl-2-(hydroxymethyl)hexyl hydrogen ethylcarbonimidate (CAS 25384-53-6), with molecular formula C12H25NO3 and molecular weight 231.18 g/mol. IUPAC: [2-ethyl-2-(hydroxymethyl)hexyl] N-ethylcarbamate.
Chemical Property Profile of 2-Ethyl-2-(hydroxymethyl)hexyl hydrogen ethylcarbonimidate
Property Insights of 2-Ethyl-2-(hydroxymethyl)hexyl hydrogen ethylcarbonimidate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethyl-2-(hydroxymethyl)hexyl hydrogen ethylcarbonimidate. With a topological polar surface area (TPSA) of 58.6 Ų, 2-Ethyl-2-(hydroxymethyl)hexyl hydrogen ethylcarbonimidate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethyl-2-(hydroxymethyl)hexyl hydrogen ethylcarbonimidate has 2 hydrogen bond donor(s) and 3 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 2-Ethyl-2-(hydroxymethyl)hexyl hydrogen ethylcarbonimidate?
The CAS number of 2-Ethyl-2-(hydroxymethyl)hexyl hydrogen ethylcarbonimidate is 25384-53-6.
What is the molecular formula of 2-Ethyl-2-(hydroxymethyl)hexyl hydrogen ethylcarbonimidate?
The molecular formula of 2-Ethyl-2-(hydroxymethyl)hexyl hydrogen ethylcarbonimidate is C12H25NO3.
What is the molecular weight of 2-Ethyl-2-(hydroxymethyl)hexyl hydrogen ethylcarbonimidate?
The molecular weight of 2-Ethyl-2-(hydroxymethyl)hexyl hydrogen ethylcarbonimidate is 231.18 g/mol.
Where can I buy 2-Ethyl-2-(hydroxymethyl)hexyl hydrogen ethylcarbonimidate?
You can request a quote for 2-Ethyl-2-(hydroxymethyl)hexyl hydrogen ethylcarbonimidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethyl-2-(hydroxymethyl)hexyl hydrogen ethylcarbonimidate?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethyl-2-(hydroxymethyl)hexyl hydrogen ethylcarbonimidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.