1,3-Propanediol, 2-methyl-2-propyl-, acetylcarbamate, carbamate
TL;DR: 1,3-Propanediol, 2-methyl-2-propyl-, acetylcarbamate, carbamate (CAS 25384-77-4) is a chemical compound with molecular formula C11H20N2O5 and molecular weight 260.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(carbamoyloxymethyl)-2-methylpentyl] N-acetylcarbamate
Also Known As: ethyl(2-oxocyclohexyl)acetate, 2-Methyl-2-propyl-1,3-propanediol acetylcarbamate carbamate, 2-Methyl-2-propyl-1,3-propanediol N-acetyldicarbamate, 2-[(carbamoyloxy)methyl]-2-methylpentyl acetylcarbamate, 1,3-Propanediol, 2-methyl-2-propyl-, acetylcarbamate, carbamate
| Molecular Formula | C11H20N2O5 |
|---|---|
| Molecular Weight | 260.14 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 260.1372 |
| Heavy Atoms | 18 |
| Complexity | 319.0 |
Chemical Identifiers
| CAS Number | 25384-77-4 |
|---|---|
| SMILES | CCCC(C)(COC(=O)N)COC(=O)NC(=O)C |
| InChIKey | BWTYUJLNQMANLA-UHFFFAOYSA-N |
Product Overview
1,3-Propanediol, 2-methyl-2-propyl-, acetylcarbamate, carbamate (CAS 25384-77-4), with molecular formula C11H20N2O5 and molecular weight 260.14 g/mol. IUPAC: [2-(carbamoyloxymethyl)-2-methylpentyl] N-acetylcarbamate.
Chemical Property Profile of 1,3-Propanediol, 2-methyl-2-propyl-, acetylcarbamate, carbamate
Property Insights of 1,3-Propanediol, 2-methyl-2-propyl-, acetylcarbamate, carbamate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Propanediol, 2-methyl-2-propyl-, acetylcarbamate, carbamate. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Propanediol, 2-methyl-2-propyl-, acetylcarbamate, carbamate. Following Lipinski's Rule of Five, 1,3-Propanediol, 2-methyl-2-propyl-, acetylcarbamate, carbamate 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 1,3-Propanediol, 2-methyl-2-propyl-, acetylcarbamate, carbamate?
The CAS number of 1,3-Propanediol, 2-methyl-2-propyl-, acetylcarbamate, carbamate is 25384-77-4.
What is the molecular formula of 1,3-Propanediol, 2-methyl-2-propyl-, acetylcarbamate, carbamate?
The molecular formula of 1,3-Propanediol, 2-methyl-2-propyl-, acetylcarbamate, carbamate is C11H20N2O5.
What is the molecular weight of 1,3-Propanediol, 2-methyl-2-propyl-, acetylcarbamate, carbamate?
The molecular weight of 1,3-Propanediol, 2-methyl-2-propyl-, acetylcarbamate, carbamate is 260.14 g/mol.
Where can I buy 1,3-Propanediol, 2-methyl-2-propyl-, acetylcarbamate, carbamate?
You can request a quote for 1,3-Propanediol, 2-methyl-2-propyl-, acetylcarbamate, carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Propanediol, 2-methyl-2-propyl-, acetylcarbamate, carbamate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanediol, 2-methyl-2-propyl-, acetylcarbamate, carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.