Isopropylcarbamic acid 2-(hydroxymethyl)-2-methylpentyl ester propionylcarbamate (ester)
TL;DR: Isopropylcarbamic acid 2-(hydroxymethyl)-2-methylpentyl ester propionylcarbamate (ester) (CAS 31047-64-0) is a chemical compound with molecular formula C15H28N2O5 and molecular weight 316.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-methyl-2-(propan-2-ylcarbamoyloxymethyl)pentyl]-propanoylcarbamic acid
Also Known As: Isopropylcarbamic acid 2-(hydroxymethyl)-2-methylpentyl ester propionylcarbamate (ester), Carbamic acid, isopropyl-, 2-(hydroxymethyl)-2-methylpentyl ester, propionylcarbamate (ester), (2-methyl-2-{[(propan-2-ylcarbamoyl)oxy]methyl}pentyl)propanoylcarbamic acid, [2-methyl-2-(propan-2-ylcarbamoyloxymethyl)pentyl]-propanoylcarbamic acid, N-Isopropyl-N'-propionyl-2-methyl-2-propyl-1,3-dicarbamoyloxy-propan
| Molecular Formula | C15H28N2O5 |
|---|---|
| Molecular Weight | 316.20 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 95.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 316.19983 |
| Heavy Atoms | 22 |
| Complexity | 397.0 |
Chemical Identifiers
| CAS Number | 31047-64-0 |
|---|---|
| SMILES | CCCC(C)(CN(C(=O)CC)C(=O)O)COC(=O)NC(C)C |
| InChIKey | BVNZMUMUOKCEIJ-UHFFFAOYSA-N |
Product Overview
Isopropylcarbamic acid 2-(hydroxymethyl)-2-methylpentyl ester propionylcarbamate (ester) (CAS 31047-64-0), with molecular formula C15H28N2O5 and molecular weight 316.20 g/mol. IUPAC: [2-methyl-2-(propan-2-ylcarbamoyloxymethyl)pentyl]-propanoylcarbamic acid.
Chemical Property Profile of Isopropylcarbamic acid 2-(hydroxymethyl)-2-methylpentyl ester propionylcarbamate (ester)
Property Insights of Isopropylcarbamic acid 2-(hydroxymethyl)-2-methylpentyl ester propionylcarbamate (ester)
The XLogP value of 3.2 indicates that Isopropylcarbamic acid 2-(hydroxymethyl)-2-methylpentyl ester propionylcarbamate (ester) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Isopropylcarbamic acid 2-(hydroxymethyl)-2-methylpentyl ester propionylcarbamate (ester). Following Lipinski's Rule of Five, Isopropylcarbamic acid 2-(hydroxymethyl)-2-methylpentyl ester propionylcarbamate (ester) has 2 hydrogen bond donor(s) and 5 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 Isopropylcarbamic acid 2-(hydroxymethyl)-2-methylpentyl ester propionylcarbamate (ester)?
The CAS number of Isopropylcarbamic acid 2-(hydroxymethyl)-2-methylpentyl ester propionylcarbamate (ester) is 31047-64-0.
What is the molecular formula of Isopropylcarbamic acid 2-(hydroxymethyl)-2-methylpentyl ester propionylcarbamate (ester)?
The molecular formula of Isopropylcarbamic acid 2-(hydroxymethyl)-2-methylpentyl ester propionylcarbamate (ester) is C15H28N2O5.
What is the molecular weight of Isopropylcarbamic acid 2-(hydroxymethyl)-2-methylpentyl ester propionylcarbamate (ester)?
The molecular weight of Isopropylcarbamic acid 2-(hydroxymethyl)-2-methylpentyl ester propionylcarbamate (ester) is 316.20 g/mol.
Where can I buy Isopropylcarbamic acid 2-(hydroxymethyl)-2-methylpentyl ester propionylcarbamate (ester)?
You can request a quote for Isopropylcarbamic acid 2-(hydroxymethyl)-2-methylpentyl ester propionylcarbamate (ester) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropylcarbamic acid 2-(hydroxymethyl)-2-methylpentyl ester propionylcarbamate (ester)?
Yes, KEHONG BIO provides custom synthesis services for Isopropylcarbamic acid 2-(hydroxymethyl)-2-methylpentyl ester propionylcarbamate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.