2-Ethyl-2-(hydroxymethyl)hexyl hydrogen propylcarbonimidate
TL;DR: 2-Ethyl-2-(hydroxymethyl)hexyl hydrogen propylcarbonimidate (CAS 30146-52-2) is a chemical compound with molecular formula C13H27NO3 and molecular weight 245.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-ethyl-2-(hydroxymethyl)hexyl] N-propylcarbamate
Also Known As: 2-ethyl-2-(hydroxymethyl)hexyl propylcarbamate, Propylcarbamic acid 2-ethyl-2-(hydroxymethyl)hexyl ester, [2-ethyl-2-(hydroxymethyl)hexyl] N-propylcarbamate, Carbamic acid, propyl-, 2-ethyl-2-(hydroxymethyl)hexyl ester, 2-Ethyl-2-(hydroxymethyl)hexyl hydrogen propylcarbonimidate
| Molecular Formula | C13H27NO3 |
|---|---|
| Molecular Weight | 245.20 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 245.1991 |
| Heavy Atoms | 17 |
| Complexity | 209.0 |
Chemical Identifiers
| CAS Number | 30146-52-2 |
|---|---|
| SMILES | CCCCC(CC)(CO)COC(=O)NCCC |
| InChIKey | CZDCKVIHZSVWLE-UHFFFAOYSA-N |
Product Overview
2-Ethyl-2-(hydroxymethyl)hexyl hydrogen propylcarbonimidate (CAS 30146-52-2), with molecular formula C13H27NO3 and molecular weight 245.20 g/mol. IUPAC: [2-ethyl-2-(hydroxymethyl)hexyl] N-propylcarbamate.
Chemical Property Profile of 2-Ethyl-2-(hydroxymethyl)hexyl hydrogen propylcarbonimidate
Property Insights of 2-Ethyl-2-(hydroxymethyl)hexyl hydrogen propylcarbonimidate
The XLogP value of 3.1 indicates that 2-Ethyl-2-(hydroxymethyl)hexyl hydrogen propylcarbonimidate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.6 Ų, 2-Ethyl-2-(hydroxymethyl)hexyl hydrogen propylcarbonimidate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethyl-2-(hydroxymethyl)hexyl hydrogen propylcarbonimidate 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 propylcarbonimidate?
The CAS number of 2-Ethyl-2-(hydroxymethyl)hexyl hydrogen propylcarbonimidate is 30146-52-2.
What is the molecular formula of 2-Ethyl-2-(hydroxymethyl)hexyl hydrogen propylcarbonimidate?
The molecular formula of 2-Ethyl-2-(hydroxymethyl)hexyl hydrogen propylcarbonimidate is C13H27NO3.
What is the molecular weight of 2-Ethyl-2-(hydroxymethyl)hexyl hydrogen propylcarbonimidate?
The molecular weight of 2-Ethyl-2-(hydroxymethyl)hexyl hydrogen propylcarbonimidate is 245.20 g/mol.
Where can I buy 2-Ethyl-2-(hydroxymethyl)hexyl hydrogen propylcarbonimidate?
You can request a quote for 2-Ethyl-2-(hydroxymethyl)hexyl hydrogen propylcarbonimidate 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 propylcarbonimidate?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethyl-2-(hydroxymethyl)hexyl hydrogen propylcarbonimidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.