1,3-Propanediol, 2-methyl-2-propyl-, carbamate, diethylcarbamate
TL;DR: 1,3-Propanediol, 2-methyl-2-propyl-, carbamate, diethylcarbamate (CAS 25642-80-2) 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-(carbamoyloxymethyl)-2-methylpentyl] N,N-diethylcarbamate
Also Known As: 2-[(carbamoyloxy)methyl]-2-methylpentyl diethylcarbamate, 2-Methyl-2-propyl-1,3-propanediol carbamate diethylcarbamate, 1,3-Propanediol, 2-methyl-2-propyl-, carbamate, diethylcarbamate, N,N-Diethylcarbamic acid 2-(carbamoyloxymethyl)-2-methylpentyl ester, N.N.-Diethyl-2-methyl-2-propyl-1.3-dicarbamoyloxy-propan
| Molecular Formula | C13H26N2O4 |
|---|---|
| Molecular Weight | 274.19 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 81.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 274.18927 |
| Heavy Atoms | 19 |
| Complexity | 292.0 |
Chemical Identifiers
| CAS Number | 25642-80-2 |
|---|---|
| SMILES | CCCC(C)(COC(=O)N)COC(=O)N(CC)CC |
| InChIKey | PWGUBEJVBRMAQL-UHFFFAOYSA-N |
Product Overview
1,3-Propanediol, 2-methyl-2-propyl-, carbamate, diethylcarbamate (CAS 25642-80-2), with molecular formula C13H26N2O4 and molecular weight 274.19 g/mol. IUPAC: [2-(carbamoyloxymethyl)-2-methylpentyl] N,N-diethylcarbamate.
Chemical Property Profile of 1,3-Propanediol, 2-methyl-2-propyl-, carbamate, diethylcarbamate
Property Insights of 1,3-Propanediol, 2-methyl-2-propyl-, carbamate, diethylcarbamate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Propanediol, 2-methyl-2-propyl-, carbamate, diethylcarbamate. The TPSA of 81.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Propanediol, 2-methyl-2-propyl-, carbamate, diethylcarbamate. Following Lipinski's Rule of Five, 1,3-Propanediol, 2-methyl-2-propyl-, carbamate, diethylcarbamate has 1 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-, carbamate, diethylcarbamate?
The CAS number of 1,3-Propanediol, 2-methyl-2-propyl-, carbamate, diethylcarbamate is 25642-80-2.
What is the molecular formula of 1,3-Propanediol, 2-methyl-2-propyl-, carbamate, diethylcarbamate?
The molecular formula of 1,3-Propanediol, 2-methyl-2-propyl-, carbamate, diethylcarbamate is C13H26N2O4.
What is the molecular weight of 1,3-Propanediol, 2-methyl-2-propyl-, carbamate, diethylcarbamate?
The molecular weight of 1,3-Propanediol, 2-methyl-2-propyl-, carbamate, diethylcarbamate is 274.19 g/mol.
Where can I buy 1,3-Propanediol, 2-methyl-2-propyl-, carbamate, diethylcarbamate?
You can request a quote for 1,3-Propanediol, 2-methyl-2-propyl-, carbamate, diethylcarbamate 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-, carbamate, diethylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanediol, 2-methyl-2-propyl-, carbamate, diethylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.