Propylcarbamic acid 2-(hydroxymethyl)-2-methylpentyl ester dimethylcarbamate (ester)
TL;DR: Propylcarbamic acid 2-(hydroxymethyl)-2-methylpentyl ester dimethylcarbamate (ester) (CAS 31053-67-5) is a chemical compound with molecular formula C14H28N2O4 and molecular weight 288.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl-[3-methyl-3-(propylcarbamoyloxymethyl)hexyl]carbamic acid
Also Known As: Propylcarbamic acid 2-(hydroxymethyl)-2-methylpentyl ester dimethylcarbamate (ester), Carbamic acid, propyl-, 2-(hydroxymethyl)-2-methylpentyl ester, dimethylcarbamate (ester), methyl-[3-methyl-3-(propylcarbamoyloxymethyl)hexyl]carbamic acid, methyl(3-methyl-3-{[(propylcarbamoyl)oxy]methyl}hexyl)carbamic acid, (3-{[Hydroxy(propylimino)methoxy]methyl}-3-methylhexyl)methylcarbamic acid
| Molecular Formula | C14H28N2O4 |
|---|---|
| Molecular Weight | 288.20 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 288.2049 |
| Heavy Atoms | 20 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 31053-67-5 |
|---|---|
| SMILES | CCCC(C)(CCN(C)C(=O)O)COC(=O)NCCC |
| InChIKey | UEBIWGWURCSTCN-UHFFFAOYSA-N |
Product Overview
Propylcarbamic acid 2-(hydroxymethyl)-2-methylpentyl ester dimethylcarbamate (ester) (CAS 31053-67-5), with molecular formula C14H28N2O4 and molecular weight 288.20 g/mol. IUPAC: methyl-[3-methyl-3-(propylcarbamoyloxymethyl)hexyl]carbamic acid.
Chemical Property Profile of Propylcarbamic acid 2-(hydroxymethyl)-2-methylpentyl ester dimethylcarbamate (ester)
Property Insights of Propylcarbamic acid 2-(hydroxymethyl)-2-methylpentyl ester dimethylcarbamate (ester)
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propylcarbamic acid 2-(hydroxymethyl)-2-methylpentyl ester dimethylcarbamate (ester). The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Propylcarbamic acid 2-(hydroxymethyl)-2-methylpentyl ester dimethylcarbamate (ester). Following Lipinski's Rule of Five, Propylcarbamic acid 2-(hydroxymethyl)-2-methylpentyl ester dimethylcarbamate (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 Propylcarbamic acid 2-(hydroxymethyl)-2-methylpentyl ester dimethylcarbamate (ester)?
The CAS number of Propylcarbamic acid 2-(hydroxymethyl)-2-methylpentyl ester dimethylcarbamate (ester) is 31053-67-5.
What is the molecular formula of Propylcarbamic acid 2-(hydroxymethyl)-2-methylpentyl ester dimethylcarbamate (ester)?
The molecular formula of Propylcarbamic acid 2-(hydroxymethyl)-2-methylpentyl ester dimethylcarbamate (ester) is C14H28N2O4.
What is the molecular weight of Propylcarbamic acid 2-(hydroxymethyl)-2-methylpentyl ester dimethylcarbamate (ester)?
The molecular weight of Propylcarbamic acid 2-(hydroxymethyl)-2-methylpentyl ester dimethylcarbamate (ester) is 288.20 g/mol.
Where can I buy Propylcarbamic acid 2-(hydroxymethyl)-2-methylpentyl ester dimethylcarbamate (ester)?
You can request a quote for Propylcarbamic acid 2-(hydroxymethyl)-2-methylpentyl ester dimethylcarbamate (ester) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propylcarbamic acid 2-(hydroxymethyl)-2-methylpentyl ester dimethylcarbamate (ester)?
Yes, KEHONG BIO provides custom synthesis services for Propylcarbamic acid 2-(hydroxymethyl)-2-methylpentyl ester dimethylcarbamate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.