2-(Hydroxymethyl)-2-methylpentyl diethylcarbamate
TL;DR: 2-(Hydroxymethyl)-2-methylpentyl diethylcarbamate (CAS 3183-89-9) 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-(hydroxymethyl)-2-methylpentyl] N,N-diethylcarbamate
Also Known As: NIOSH/TZ0190000, 2-(hydroxymethyl)-2-methylpentyl diethylcarbamate, Diethylcarbamic acid 2-(hydroxymethyl)-2-methylpentyl ester, 2-Methyl-2-propyl-3-diethylcarbamoyloxy-propanol-(1), [2-(hydroxymethyl)-2-methylpentyl] N,N-diethylcarbamate
| Molecular Formula | C12H25NO3 |
|---|---|
| Molecular Weight | 231.18 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 231.18344 |
| Heavy Atoms | 16 |
| Complexity | 204.0 |
Chemical Identifiers
| CAS Number | 3183-89-9 |
|---|---|
| SMILES | CCCC(C)(CO)COC(=O)N(CC)CC |
| InChIKey | JFDODGJIADCKIE-UHFFFAOYSA-N |
Product Overview
2-(Hydroxymethyl)-2-methylpentyl diethylcarbamate (CAS 3183-89-9), with molecular formula C12H25NO3 and molecular weight 231.18 g/mol. IUPAC: [2-(hydroxymethyl)-2-methylpentyl] N,N-diethylcarbamate.
Chemical Property Profile of 2-(Hydroxymethyl)-2-methylpentyl diethylcarbamate
Property Insights of 2-(Hydroxymethyl)-2-methylpentyl diethylcarbamate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Hydroxymethyl)-2-methylpentyl diethylcarbamate. With a topological polar surface area (TPSA) of 49.8 Ų, 2-(Hydroxymethyl)-2-methylpentyl diethylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Hydroxymethyl)-2-methylpentyl diethylcarbamate has 1 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-(Hydroxymethyl)-2-methylpentyl diethylcarbamate?
The CAS number of 2-(Hydroxymethyl)-2-methylpentyl diethylcarbamate is 3183-89-9.
What is the molecular formula of 2-(Hydroxymethyl)-2-methylpentyl diethylcarbamate?
The molecular formula of 2-(Hydroxymethyl)-2-methylpentyl diethylcarbamate is C12H25NO3.
What is the molecular weight of 2-(Hydroxymethyl)-2-methylpentyl diethylcarbamate?
The molecular weight of 2-(Hydroxymethyl)-2-methylpentyl diethylcarbamate is 231.18 g/mol.
Where can I buy 2-(Hydroxymethyl)-2-methylpentyl diethylcarbamate?
You can request a quote for 2-(Hydroxymethyl)-2-methylpentyl diethylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Hydroxymethyl)-2-methylpentyl diethylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Hydroxymethyl)-2-methylpentyl diethylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.