1,3-Propanediol, 2-(diethylaminomethyl)-2-ethyl-, dicarbamate
TL;DR: 1,3-Propanediol, 2-(diethylaminomethyl)-2-ethyl-, dicarbamate (CAS 25480-68-6) is a chemical compound with molecular formula C12H25N3O4 and molecular weight 275.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(carbamoyloxymethyl)-2-(diethylaminomethyl)butyl] carbamate
Also Known As: 2-(Diethylaminomethyl)-2-ethyl-1,3-propanediol dicarbamate, 1,3-Propanediol, 2-(diethylaminomethyl)-2-ethyl-, dicarbamate, 2-Ethyl-2-diethylamino-methyl-1,3-dicarbamoyloxy-propan, [2-(carbamoyloxymethyl)-2-(diethylaminomethyl)butyl] carbamate, 2-[(carbamoyloxy)methyl]-2-[(diethylamino)methyl]butyl carbamate(non-preferred name)
| Molecular Formula | C12H25N3O4 |
|---|---|
| Molecular Weight | 275.18 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 275.1845 |
| Heavy Atoms | 19 |
| Complexity | 275.0 |
Chemical Identifiers
| CAS Number | 25480-68-6 |
|---|---|
| SMILES | CCC(CN(CC)CC)(COC(=O)N)COC(=O)N |
| InChIKey | ACJHFLOITZTLEZ-UHFFFAOYSA-N |
Product Overview
1,3-Propanediol, 2-(diethylaminomethyl)-2-ethyl-, dicarbamate (CAS 25480-68-6), with molecular formula C12H25N3O4 and molecular weight 275.18 g/mol. IUPAC: [2-(carbamoyloxymethyl)-2-(diethylaminomethyl)butyl] carbamate.
Chemical Property Profile of 1,3-Propanediol, 2-(diethylaminomethyl)-2-ethyl-, dicarbamate
Property Insights of 1,3-Propanediol, 2-(diethylaminomethyl)-2-ethyl-, dicarbamate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Propanediol, 2-(diethylaminomethyl)-2-ethyl-, dicarbamate. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Propanediol, 2-(diethylaminomethyl)-2-ethyl-, dicarbamate. Following Lipinski's Rule of Five, 1,3-Propanediol, 2-(diethylaminomethyl)-2-ethyl-, dicarbamate has 2 hydrogen bond donor(s) and 5 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-(diethylaminomethyl)-2-ethyl-, dicarbamate?
The CAS number of 1,3-Propanediol, 2-(diethylaminomethyl)-2-ethyl-, dicarbamate is 25480-68-6.
What is the molecular formula of 1,3-Propanediol, 2-(diethylaminomethyl)-2-ethyl-, dicarbamate?
The molecular formula of 1,3-Propanediol, 2-(diethylaminomethyl)-2-ethyl-, dicarbamate is C12H25N3O4.
What is the molecular weight of 1,3-Propanediol, 2-(diethylaminomethyl)-2-ethyl-, dicarbamate?
The molecular weight of 1,3-Propanediol, 2-(diethylaminomethyl)-2-ethyl-, dicarbamate is 275.18 g/mol.
Where can I buy 1,3-Propanediol, 2-(diethylaminomethyl)-2-ethyl-, dicarbamate?
You can request a quote for 1,3-Propanediol, 2-(diethylaminomethyl)-2-ethyl-, 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-(diethylaminomethyl)-2-ethyl-, dicarbamate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanediol, 2-(diethylaminomethyl)-2-ethyl-, dicarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.