Carbamic acid, dibutyl-, 2-(hydroxymethyl)-2-methylpentyl ester
TL;DR: Carbamic acid, dibutyl-, 2-(hydroxymethyl)-2-methylpentyl ester (CAS 30122-78-2) is a chemical compound with molecular formula C16H33NO3 and molecular weight 287.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(hydroxymethyl)-2-methylpentyl] N,N-dibutylcarbamate
Also Known As: 2-(hydroxymethyl)-2-methylpentyl dibutylcarbamate, Dibutylcarbamic acid 2-(hydroxymethyl)-2-methylpentyl ester, Carbamic acid, dibutyl-, 2-(hydroxymethyl)-2-methylpentyl ester, [2-(hydroxymethyl)-2-methylpentyl] N,N-dibutylcarbamate, RefChem:1080882
| Molecular Formula | C16H33NO3 |
|---|---|
| Molecular Weight | 287.25 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 12 |
| Exact Mass | 287.24603 |
| Heavy Atoms | 20 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 30122-78-2 |
|---|---|
| SMILES | CCCCN(CCCC)C(=O)OCC(C)(CCC)CO |
| InChIKey | CMBVQXWTMHCRGN-UHFFFAOYSA-N |
Product Overview
Carbamic acid, dibutyl-, 2-(hydroxymethyl)-2-methylpentyl ester (CAS 30122-78-2), with molecular formula C16H33NO3 and molecular weight 287.25 g/mol. IUPAC: [2-(hydroxymethyl)-2-methylpentyl] N,N-dibutylcarbamate.
Chemical Property Profile of Carbamic acid, dibutyl-, 2-(hydroxymethyl)-2-methylpentyl ester
Property Insights of Carbamic acid, dibutyl-, 2-(hydroxymethyl)-2-methylpentyl ester
The XLogP value of 4.0 indicates that Carbamic acid, dibutyl-, 2-(hydroxymethyl)-2-methylpentyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.8 Ų, Carbamic acid, dibutyl-, 2-(hydroxymethyl)-2-methylpentyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamic acid, dibutyl-, 2-(hydroxymethyl)-2-methylpentyl ester 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 Carbamic acid, dibutyl-, 2-(hydroxymethyl)-2-methylpentyl ester?
The CAS number of Carbamic acid, dibutyl-, 2-(hydroxymethyl)-2-methylpentyl ester is 30122-78-2.
What is the molecular formula of Carbamic acid, dibutyl-, 2-(hydroxymethyl)-2-methylpentyl ester?
The molecular formula of Carbamic acid, dibutyl-, 2-(hydroxymethyl)-2-methylpentyl ester is C16H33NO3.
What is the molecular weight of Carbamic acid, dibutyl-, 2-(hydroxymethyl)-2-methylpentyl ester?
The molecular weight of Carbamic acid, dibutyl-, 2-(hydroxymethyl)-2-methylpentyl ester is 287.25 g/mol.
Where can I buy Carbamic acid, dibutyl-, 2-(hydroxymethyl)-2-methylpentyl ester?
You can request a quote for Carbamic acid, dibutyl-, 2-(hydroxymethyl)-2-methylpentyl 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, dibutyl-, 2-(hydroxymethyl)-2-methylpentyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, dibutyl-, 2-(hydroxymethyl)-2-methylpentyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.