1,3-Propanediol, 2-ethyl-1-(1-methylbutyl)-, dicarbamate
TL;DR: 1,3-Propanediol, 2-ethyl-1-(1-methylbutyl)-, dicarbamate (CAS 63834-86-6) is a chemical compound with molecular formula C12H24N2O4 and molecular weight 260.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(carbamoyloxymethyl)-2-ethyl-3-methylhexyl] carbamate
Also Known As: 2-Ethyl-2-(1-methylbutyl)-1,3-propanediol dicarbamate, 1,3-Propanediol, 2-ethyl-1-(1-methylbutyl)-, dicarbamate, 2-Ethyl-1-(1-methylbutyl)-1,3-propanediol dicarbamate, [2-(carbamoyloxymethyl)-2-ethyl-3-methylhexyl] carbamate, 2-[(carbamoyloxy)methyl]-2-ethyl-3-methylhexyl carbamate(non-preferred name)
| Molecular Formula | C12H24N2O4 |
|---|---|
| Molecular Weight | 260.17 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 260.1736 |
| Heavy Atoms | 18 |
| Complexity | 263.0 |
Chemical Identifiers
| CAS Number | 63834-86-6 |
|---|---|
| SMILES | CCCC(C)C(CC)(COC(=O)N)COC(=O)N |
| InChIKey | VZFAZSVWRYAFBK-UHFFFAOYSA-N |
Product Overview
1,3-Propanediol, 2-ethyl-1-(1-methylbutyl)-, dicarbamate (CAS 63834-86-6), with molecular formula C12H24N2O4 and molecular weight 260.17 g/mol. IUPAC: [2-(carbamoyloxymethyl)-2-ethyl-3-methylhexyl] carbamate.
Chemical Property Profile of 1,3-Propanediol, 2-ethyl-1-(1-methylbutyl)-, dicarbamate
Property Insights of 1,3-Propanediol, 2-ethyl-1-(1-methylbutyl)-, dicarbamate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Propanediol, 2-ethyl-1-(1-methylbutyl)-, dicarbamate. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Propanediol, 2-ethyl-1-(1-methylbutyl)-, dicarbamate. Following Lipinski's Rule of Five, 1,3-Propanediol, 2-ethyl-1-(1-methylbutyl)-, dicarbamate 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-ethyl-1-(1-methylbutyl)-, dicarbamate?
The CAS number of 1,3-Propanediol, 2-ethyl-1-(1-methylbutyl)-, dicarbamate is 63834-86-6.
What is the molecular formula of 1,3-Propanediol, 2-ethyl-1-(1-methylbutyl)-, dicarbamate?
The molecular formula of 1,3-Propanediol, 2-ethyl-1-(1-methylbutyl)-, dicarbamate is C12H24N2O4.
What is the molecular weight of 1,3-Propanediol, 2-ethyl-1-(1-methylbutyl)-, dicarbamate?
The molecular weight of 1,3-Propanediol, 2-ethyl-1-(1-methylbutyl)-, dicarbamate is 260.17 g/mol.
Where can I buy 1,3-Propanediol, 2-ethyl-1-(1-methylbutyl)-, dicarbamate?
You can request a quote for 1,3-Propanediol, 2-ethyl-1-(1-methylbutyl)-, dicarbamate 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-ethyl-1-(1-methylbutyl)-, dicarbamate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanediol, 2-ethyl-1-(1-methylbutyl)-, dicarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.