1,3-Propanediol, 2-methyl-2-propyl-, carbamate, 2-methylallylcarbamate
TL;DR: 1,3-Propanediol, 2-methyl-2-propyl-, carbamate, 2-methylallylcarbamate (CAS 25384-85-4) is a chemical compound with molecular formula C13H24N2O4 and molecular weight 272.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(carbamoyloxymethyl)-2-methylpentyl] N-(2-methylprop-2-enyl)carbamate
Also Known As: 2-Methyl-2-propyl-1,3-propanediol carbamate 2-methylallylcarbamate, 1,3-Propanediol, 2-methyl-2-propyl-, carbamate, 2-methylallylcarbamate, [2-(carbamoyloxymethyl)-2-methylpentyl] N-(2-methylprop-2-enyl)carbamate, 2-[(carbamoyloxy)methyl]-2-methylpentyl(2-methylprop-2-en-1-yl)carbamate, 1,3-Propanediol,2-methyl-2-propyl-,carbamate,2-methylallylcarbamate
| Molecular Formula | C13H24N2O4 |
|---|---|
| Molecular Weight | 272.17 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 90.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 272.1736 |
| Heavy Atoms | 19 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 25384-85-4 |
|---|---|
| SMILES | CCCC(C)(COC(=O)N)COC(=O)NCC(=C)C |
| InChIKey | RJQFSZABCNPBQY-UHFFFAOYSA-N |
Product Overview
1,3-Propanediol, 2-methyl-2-propyl-, carbamate, 2-methylallylcarbamate (CAS 25384-85-4), with molecular formula C13H24N2O4 and molecular weight 272.17 g/mol. IUPAC: [2-(carbamoyloxymethyl)-2-methylpentyl] N-(2-methylprop-2-enyl)carbamate.
Chemical Property Profile of 1,3-Propanediol, 2-methyl-2-propyl-, carbamate, 2-methylallylcarbamate
Property Insights of 1,3-Propanediol, 2-methyl-2-propyl-, carbamate, 2-methylallylcarbamate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Propanediol, 2-methyl-2-propyl-, carbamate, 2-methylallylcarbamate. The TPSA of 90.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Propanediol, 2-methyl-2-propyl-, carbamate, 2-methylallylcarbamate. Following Lipinski's Rule of Five, 1,3-Propanediol, 2-methyl-2-propyl-, carbamate, 2-methylallylcarbamate 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-, carbamate, 2-methylallylcarbamate?
The CAS number of 1,3-Propanediol, 2-methyl-2-propyl-, carbamate, 2-methylallylcarbamate is 25384-85-4.
What is the molecular formula of 1,3-Propanediol, 2-methyl-2-propyl-, carbamate, 2-methylallylcarbamate?
The molecular formula of 1,3-Propanediol, 2-methyl-2-propyl-, carbamate, 2-methylallylcarbamate is C13H24N2O4.
What is the molecular weight of 1,3-Propanediol, 2-methyl-2-propyl-, carbamate, 2-methylallylcarbamate?
The molecular weight of 1,3-Propanediol, 2-methyl-2-propyl-, carbamate, 2-methylallylcarbamate is 272.17 g/mol.
Where can I buy 1,3-Propanediol, 2-methyl-2-propyl-, carbamate, 2-methylallylcarbamate?
You can request a quote for 1,3-Propanediol, 2-methyl-2-propyl-, carbamate, 2-methylallylcarbamate 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, 2-methylallylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanediol, 2-methyl-2-propyl-, carbamate, 2-methylallylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.