Pentylcarbamic acid 2-(hydroxymethyl)-2-methylpentyl ester carbamate (ester)
TL;DR: Pentylcarbamic acid 2-(hydroxymethyl)-2-methylpentyl ester carbamate (ester) (CAS 3016-43-1) 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.
[2-(carbamoyloxymethyl)-2-methylpentyl] N-pentylcarbamate
Also Known As: Pentylcarbamic acid 2-(hydroxymethyl)-2-methylpentyl ester carbamate (ester), Carbamic acid, pentyl-, 2-(hydroxymethyl)-2-methylpentyl ester, carbamate (ester), [2-(carbamoyloxymethyl)-2-methylpentyl] N-pentylcarbamate, 2-[(carbamoyloxy)methyl]-2-methylpentyl pentylcarbamate(non-preferred name), RefChem:1080972
| Molecular Formula | C14H28N2O4 |
|---|---|
| Molecular Weight | 288.20 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 90.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 288.2049 |
| Heavy Atoms | 20 |
| Complexity | 297.0 |
Chemical Identifiers
| CAS Number | 3016-43-1 |
|---|---|
| SMILES | CCCCCNC(=O)OCC(C)(CCC)COC(=O)N |
| InChIKey | ALKZEBDLPNIUHP-UHFFFAOYSA-N |
Product Overview
Pentylcarbamic acid 2-(hydroxymethyl)-2-methylpentyl ester carbamate (ester) (CAS 3016-43-1), with molecular formula C14H28N2O4 and molecular weight 288.20 g/mol. IUPAC: [2-(carbamoyloxymethyl)-2-methylpentyl] N-pentylcarbamate.
Chemical Property Profile of Pentylcarbamic acid 2-(hydroxymethyl)-2-methylpentyl ester carbamate (ester)
Property Insights of Pentylcarbamic acid 2-(hydroxymethyl)-2-methylpentyl ester carbamate (ester)
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pentylcarbamic acid 2-(hydroxymethyl)-2-methylpentyl ester carbamate (ester). The TPSA of 90.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Pentylcarbamic acid 2-(hydroxymethyl)-2-methylpentyl ester carbamate (ester). Following Lipinski's Rule of Five, Pentylcarbamic acid 2-(hydroxymethyl)-2-methylpentyl ester carbamate (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 Pentylcarbamic acid 2-(hydroxymethyl)-2-methylpentyl ester carbamate (ester)?
The CAS number of Pentylcarbamic acid 2-(hydroxymethyl)-2-methylpentyl ester carbamate (ester) is 3016-43-1.
What is the molecular formula of Pentylcarbamic acid 2-(hydroxymethyl)-2-methylpentyl ester carbamate (ester)?
The molecular formula of Pentylcarbamic acid 2-(hydroxymethyl)-2-methylpentyl ester carbamate (ester) is C14H28N2O4.
What is the molecular weight of Pentylcarbamic acid 2-(hydroxymethyl)-2-methylpentyl ester carbamate (ester)?
The molecular weight of Pentylcarbamic acid 2-(hydroxymethyl)-2-methylpentyl ester carbamate (ester) is 288.20 g/mol.
Where can I buy Pentylcarbamic acid 2-(hydroxymethyl)-2-methylpentyl ester carbamate (ester)?
You can request a quote for Pentylcarbamic acid 2-(hydroxymethyl)-2-methylpentyl ester carbamate (ester) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentylcarbamic acid 2-(hydroxymethyl)-2-methylpentyl ester carbamate (ester)?
Yes, KEHONG BIO provides custom synthesis services for Pentylcarbamic acid 2-(hydroxymethyl)-2-methylpentyl ester carbamate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.