1,3-Propanediol, 2-methyl-2-propyl-, bis(ethylcarbamate)
TL;DR: 1,3-Propanediol, 2-methyl-2-propyl-, bis(ethylcarbamate) (CAS 25648-66-2) is a chemical compound with molecular formula C13H26N2O4 and molecular weight 274.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(ethylcarbamoyloxymethyl)-2-methylpentyl] N-ethylcarbamate
Also Known As: 2-Methyl-2-propyl-1,3-propanediol bis(ethylcarbamate), 1,3-Propanediol, 2-methyl-2-propyl-, bis(ethylcarbamate), 2-{[(ethylcarbamoyl)oxy]methyl}-2-methylpentyl ethylcarbamate, Carbamic acid, ethyl-, 2-methyl-2-propyltrimethylene ester, N.N'-Diethyl-2-methyl-2-propyl-1.3-dicarbamoyloxy-propan
| Molecular Formula | C13H26N2O4 |
|---|---|
| Molecular Weight | 274.19 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 76.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 274.18927 |
| Heavy Atoms | 19 |
| Complexity | 260.0 |
Chemical Identifiers
| CAS Number | 25648-66-2 |
|---|---|
| SMILES | CCCC(C)(COC(=O)NCC)COC(=O)NCC |
| InChIKey | JAGDGWYCWWBCLL-UHFFFAOYSA-N |
Product Overview
1,3-Propanediol, 2-methyl-2-propyl-, bis(ethylcarbamate) (CAS 25648-66-2), with molecular formula C13H26N2O4 and molecular weight 274.19 g/mol. IUPAC: [2-(ethylcarbamoyloxymethyl)-2-methylpentyl] N-ethylcarbamate.
Chemical Property Profile of 1,3-Propanediol, 2-methyl-2-propyl-, bis(ethylcarbamate)
Property Insights of 1,3-Propanediol, 2-methyl-2-propyl-, bis(ethylcarbamate)
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Propanediol, 2-methyl-2-propyl-, bis(ethylcarbamate). The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Propanediol, 2-methyl-2-propyl-, bis(ethylcarbamate). Following Lipinski's Rule of Five, 1,3-Propanediol, 2-methyl-2-propyl-, bis(ethylcarbamate) 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 1,3-Propanediol, 2-methyl-2-propyl-, bis(ethylcarbamate)?
The CAS number of 1,3-Propanediol, 2-methyl-2-propyl-, bis(ethylcarbamate) is 25648-66-2.
What is the molecular formula of 1,3-Propanediol, 2-methyl-2-propyl-, bis(ethylcarbamate)?
The molecular formula of 1,3-Propanediol, 2-methyl-2-propyl-, bis(ethylcarbamate) is C13H26N2O4.
What is the molecular weight of 1,3-Propanediol, 2-methyl-2-propyl-, bis(ethylcarbamate)?
The molecular weight of 1,3-Propanediol, 2-methyl-2-propyl-, bis(ethylcarbamate) is 274.19 g/mol.
Where can I buy 1,3-Propanediol, 2-methyl-2-propyl-, bis(ethylcarbamate)?
You can request a quote for 1,3-Propanediol, 2-methyl-2-propyl-, bis(ethylcarbamate) 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-, bis(ethylcarbamate)?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanediol, 2-methyl-2-propyl-, bis(ethylcarbamate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.