Isopentylcarbamic acid 2-(hydroxymethyl)-2-methylpentyl ester butylcarbamate (ester)
TL;DR: Isopentylcarbamic acid 2-(hydroxymethyl)-2-methylpentyl ester butylcarbamate (ester) (CAS 31053-44-8) is a chemical compound with molecular formula C18H36N2O4 and molecular weight 344.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl-[2-methyl-2-(3-methylbutylcarbamoyloxymethyl)pentyl]carbamic acid
Also Known As: Isopentylcarbamic acid 2-(hydroxymethyl)-2-methylpentyl ester butylcarbamate (ester), Carbamic acid, isopentyl-, 2-(hydroxymethyl)-2-methylpentyl ester, butylcarbamate (ester), butyl-[2-methyl-2-(3-methylbutylcarbamoyloxymethyl)pentyl]carbamic acid, butyl[2-methyl-2-({[(3-methylbutyl)carbamoyl]oxy}methyl)pentyl]carbamic acid, N-Butyl-N'-(3-methyl-butyl)-2-methyl-2-propyl-1,3-dicarbamoyl-propan
| Molecular Formula | C18H36N2O4 |
|---|---|
| Molecular Weight | 344.27 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 13 |
| Exact Mass | 344.26752 |
| Heavy Atoms | 24 |
| Complexity | 374.0 |
Chemical Identifiers
| CAS Number | 31053-44-8 |
|---|---|
| SMILES | CCCCN(CC(C)(CCC)COC(=O)NCCC(C)C)C(=O)O |
| InChIKey | QPCYJCBDBMQJLM-UHFFFAOYSA-N |
Product Overview
Isopentylcarbamic acid 2-(hydroxymethyl)-2-methylpentyl ester butylcarbamate (ester) (CAS 31053-44-8), with molecular formula C18H36N2O4 and molecular weight 344.27 g/mol. IUPAC: butyl-[2-methyl-2-(3-methylbutylcarbamoyloxymethyl)pentyl]carbamic acid.
Chemical Property Profile of Isopentylcarbamic acid 2-(hydroxymethyl)-2-methylpentyl ester butylcarbamate (ester)
Property Insights of Isopentylcarbamic acid 2-(hydroxymethyl)-2-methylpentyl ester butylcarbamate (ester)
The XLogP value of 4.5 indicates that Isopentylcarbamic acid 2-(hydroxymethyl)-2-methylpentyl ester butylcarbamate (ester) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Isopentylcarbamic acid 2-(hydroxymethyl)-2-methylpentyl ester butylcarbamate (ester). Following Lipinski's Rule of Five, Isopentylcarbamic acid 2-(hydroxymethyl)-2-methylpentyl ester butylcarbamate (ester) has 2 hydrogen bond donor(s) and 4 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 Isopentylcarbamic acid 2-(hydroxymethyl)-2-methylpentyl ester butylcarbamate (ester)?
The CAS number of Isopentylcarbamic acid 2-(hydroxymethyl)-2-methylpentyl ester butylcarbamate (ester) is 31053-44-8.
What is the molecular formula of Isopentylcarbamic acid 2-(hydroxymethyl)-2-methylpentyl ester butylcarbamate (ester)?
The molecular formula of Isopentylcarbamic acid 2-(hydroxymethyl)-2-methylpentyl ester butylcarbamate (ester) is C18H36N2O4.
What is the molecular weight of Isopentylcarbamic acid 2-(hydroxymethyl)-2-methylpentyl ester butylcarbamate (ester)?
The molecular weight of Isopentylcarbamic acid 2-(hydroxymethyl)-2-methylpentyl ester butylcarbamate (ester) is 344.27 g/mol.
Where can I buy Isopentylcarbamic acid 2-(hydroxymethyl)-2-methylpentyl ester butylcarbamate (ester)?
You can request a quote for Isopentylcarbamic acid 2-(hydroxymethyl)-2-methylpentyl ester butylcarbamate (ester) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopentylcarbamic acid 2-(hydroxymethyl)-2-methylpentyl ester butylcarbamate (ester)?
Yes, KEHONG BIO provides custom synthesis services for Isopentylcarbamic acid 2-(hydroxymethyl)-2-methylpentyl ester butylcarbamate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.