1,3-Propanediol, 2,2-diethyl-, bis(N-dimethylcarbamate)
TL;DR: 1,3-Propanediol, 2,2-diethyl-, bis(N-dimethylcarbamate) (CAS 63834-75-3) 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-(dimethylcarbamoyloxymethyl)-2-ethylbutyl] N,N-dimethylcarbamate
Also Known As: MC 2690, 2,2-Diethyl-1,3-propanediol1,3-bis, 2,2-Diethyl-1,3-propanediol bis(N-dimethylcarbamate), 1,3-Propanediol, 2,2-diethyl-, bis(N-dimethylcarbamate), 2,2-DIETHYL-1,3-PROPANEDIOL 1,3-BIS(N,N-DIMETHYLCARBAMATE)
| Molecular Formula | C13H26N2O4 |
|---|---|
| Molecular Weight | 274.19 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 59.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 274.18927 |
| Heavy Atoms | 19 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 63834-75-3 |
|---|---|
| SMILES | CCC(CC)(COC(=O)N(C)C)COC(=O)N(C)C |
| InChIKey | SYJOHJHUOWQNTH-UHFFFAOYSA-N |
Product Overview
1,3-Propanediol, 2,2-diethyl-, bis(N-dimethylcarbamate) (CAS 63834-75-3), with molecular formula C13H26N2O4 and molecular weight 274.19 g/mol. IUPAC: [2-(dimethylcarbamoyloxymethyl)-2-ethylbutyl] N,N-dimethylcarbamate.
Chemical Property Profile of 1,3-Propanediol, 2,2-diethyl-, bis(N-dimethylcarbamate)
Property Insights of 1,3-Propanediol, 2,2-diethyl-, bis(N-dimethylcarbamate)
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Propanediol, 2,2-diethyl-, bis(N-dimethylcarbamate). With a topological polar surface area (TPSA) of 59.1 Ų, 1,3-Propanediol, 2,2-diethyl-, bis(N-dimethylcarbamate) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Propanediol, 2,2-diethyl-, bis(N-dimethylcarbamate) has 0 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, 2,2-diethyl-, bis(N-dimethylcarbamate)?
The CAS number of 1,3-Propanediol, 2,2-diethyl-, bis(N-dimethylcarbamate) is 63834-75-3.
What is the molecular formula of 1,3-Propanediol, 2,2-diethyl-, bis(N-dimethylcarbamate)?
The molecular formula of 1,3-Propanediol, 2,2-diethyl-, bis(N-dimethylcarbamate) is C13H26N2O4.
What is the molecular weight of 1,3-Propanediol, 2,2-diethyl-, bis(N-dimethylcarbamate)?
The molecular weight of 1,3-Propanediol, 2,2-diethyl-, bis(N-dimethylcarbamate) is 274.19 g/mol.
Where can I buy 1,3-Propanediol, 2,2-diethyl-, bis(N-dimethylcarbamate)?
You can request a quote for 1,3-Propanediol, 2,2-diethyl-, bis(N-dimethylcarbamate) 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, 2,2-diethyl-, bis(N-dimethylcarbamate)?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanediol, 2,2-diethyl-, bis(N-dimethylcarbamate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.