1,3-Propanediol, 2,2-diethyl-, bis(aminocarbamate)
TL;DR: 1,3-Propanediol, 2,2-diethyl-, bis(aminocarbamate) (CAS 25652-04-4) is a chemical compound with molecular formula C9H20N4O4 and molecular weight 248.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-ethyl-2-(hydrazinecarbonyloxymethyl)butyl] N-aminocarbamate
Also Known As: 2,2-Diethyl-1,3-propanediol bis(aminocarbamate), 1,3-Propanediol, 2,2-diethyl-, bis(aminocarbamate), Carbazic acid, 2,2-diethyltrimethylene ester, N,N'-Diamino-2,2-diaethyl-1,3-dicarbamoyloxy-propan, Dicarbazic acid 2,2-diethyltrimethylene ester
| Molecular Formula | C9H20N4O4 |
|---|---|
| Molecular Weight | 248.15 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 248.14845 |
| Heavy Atoms | 17 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 25652-04-4 |
|---|---|
| SMILES | CCC(CC)(COC(=O)NN)COC(=O)NN |
| InChIKey | DTYRWULXBWFUDY-UHFFFAOYSA-N |
Product Overview
1,3-Propanediol, 2,2-diethyl-, bis(aminocarbamate) (CAS 25652-04-4), with molecular formula C9H20N4O4 and molecular weight 248.15 g/mol. IUPAC: [2-ethyl-2-(hydrazinecarbonyloxymethyl)butyl] N-aminocarbamate.
Chemical Property Profile of 1,3-Propanediol, 2,2-diethyl-, bis(aminocarbamate)
Property Insights of 1,3-Propanediol, 2,2-diethyl-, bis(aminocarbamate)
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Propanediol, 2,2-diethyl-, bis(aminocarbamate). The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Propanediol, 2,2-diethyl-, bis(aminocarbamate). Following Lipinski's Rule of Five, 1,3-Propanediol, 2,2-diethyl-, bis(aminocarbamate) has 4 hydrogen bond donor(s) and 6 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(aminocarbamate)?
The CAS number of 1,3-Propanediol, 2,2-diethyl-, bis(aminocarbamate) is 25652-04-4.
What is the molecular formula of 1,3-Propanediol, 2,2-diethyl-, bis(aminocarbamate)?
The molecular formula of 1,3-Propanediol, 2,2-diethyl-, bis(aminocarbamate) is C9H20N4O4.
What is the molecular weight of 1,3-Propanediol, 2,2-diethyl-, bis(aminocarbamate)?
The molecular weight of 1,3-Propanediol, 2,2-diethyl-, bis(aminocarbamate) is 248.15 g/mol.
Where can I buy 1,3-Propanediol, 2,2-diethyl-, bis(aminocarbamate)?
You can request a quote for 1,3-Propanediol, 2,2-diethyl-, bis(aminocarbamate) 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(aminocarbamate)?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanediol, 2,2-diethyl-, bis(aminocarbamate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.