1,3-Propanediol, 2,2-diethyl-, allylcarbamate, carbamate
TL;DR: 1,3-Propanediol, 2,2-diethyl-, allylcarbamate, carbamate (CAS 25385-19-7) is a chemical compound with molecular formula C12H22N2O4 and molecular weight 258.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(carbamoyloxymethyl)-2-ethylbutyl] N-prop-2-enylcarbamate
Also Known As: 2,2-Diethyl-1,3-propanediol allylcarbamate carbamate, 1,3-Propanediol, 2,2-diethyl-, allylcarbamate, carbamate, 2-[(carbamoyloxy)methyl]-2-ethylbutyl allylcarbamate, N-Allyl-2,2-diethyl-1,3-dicarbamoyloxy-propan, Carbamic acid 2-allylcarbamoyloxymethyl-2-ethyl-butyl ester
| Molecular Formula | C12H22N2O4 |
|---|---|
| Molecular Weight | 258.16 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 90.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 258.15796 |
| Heavy Atoms | 18 |
| Complexity | 288.0 |
Chemical Identifiers
| CAS Number | 25385-19-7 |
|---|---|
| SMILES | CCC(CC)(COC(=O)N)COC(=O)NCC=C |
| InChIKey | DWDXRBSFDKWBHA-UHFFFAOYSA-N |
Product Overview
1,3-Propanediol, 2,2-diethyl-, allylcarbamate, carbamate (CAS 25385-19-7), with molecular formula C12H22N2O4 and molecular weight 258.16 g/mol. IUPAC: [2-(carbamoyloxymethyl)-2-ethylbutyl] N-prop-2-enylcarbamate.
Chemical Property Profile of 1,3-Propanediol, 2,2-diethyl-, allylcarbamate, carbamate
Property Insights of 1,3-Propanediol, 2,2-diethyl-, allylcarbamate, carbamate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Propanediol, 2,2-diethyl-, allylcarbamate, carbamate. The TPSA of 90.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Propanediol, 2,2-diethyl-, allylcarbamate, carbamate. Following Lipinski's Rule of Five, 1,3-Propanediol, 2,2-diethyl-, allylcarbamate, carbamate 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, 2,2-diethyl-, allylcarbamate, carbamate?
The CAS number of 1,3-Propanediol, 2,2-diethyl-, allylcarbamate, carbamate is 25385-19-7.
What is the molecular formula of 1,3-Propanediol, 2,2-diethyl-, allylcarbamate, carbamate?
The molecular formula of 1,3-Propanediol, 2,2-diethyl-, allylcarbamate, carbamate is C12H22N2O4.
What is the molecular weight of 1,3-Propanediol, 2,2-diethyl-, allylcarbamate, carbamate?
The molecular weight of 1,3-Propanediol, 2,2-diethyl-, allylcarbamate, carbamate is 258.16 g/mol.
Where can I buy 1,3-Propanediol, 2,2-diethyl-, allylcarbamate, carbamate?
You can request a quote for 1,3-Propanediol, 2,2-diethyl-, allylcarbamate, carbamate 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-, allylcarbamate, carbamate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanediol, 2,2-diethyl-, allylcarbamate, carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.