1,3-Propanediol, 2,2-diethyl-, carbamate propylcarbamate
TL;DR: 1,3-Propanediol, 2,2-diethyl-, carbamate propylcarbamate (CAS 25385-17-5) 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-ethylbutyl] N-propylcarbamate
Also Known As: n-propylcarbamicacid2-2-ethylbutylester, 2,2-Diethyl-1,3-propanediol carbamate propylcarbamate, N-Propylcarbamicacid2- -2-ethylbutylester, 1,3-Propanediol, 2,2-diethyl-, carbamate propylcarbamate, 2-[(carbamoyloxy)methyl]-2-ethylbutyl propylcarbamate
| Molecular Formula | C12H24N2O4 |
|---|---|
| Molecular Weight | 260.17 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 90.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 260.1736 |
| Heavy Atoms | 18 |
| Complexity | 265.0 |
Chemical Identifiers
| CAS Number | 25385-17-5 |
|---|---|
| SMILES | CCCNC(=O)OCC(CC)(CC)COC(=O)N |
| InChIKey | ATJFNCBLTADTPP-UHFFFAOYSA-N |
Product Overview
1,3-Propanediol, 2,2-diethyl-, carbamate propylcarbamate (CAS 25385-17-5), with molecular formula C12H24N2O4 and molecular weight 260.17 g/mol. IUPAC: [2-(carbamoyloxymethyl)-2-ethylbutyl] N-propylcarbamate.
Chemical Property Profile of 1,3-Propanediol, 2,2-diethyl-, carbamate propylcarbamate
Property Insights of 1,3-Propanediol, 2,2-diethyl-, carbamate propylcarbamate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Propanediol, 2,2-diethyl-, carbamate propylcarbamate. The TPSA of 90.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Propanediol, 2,2-diethyl-, carbamate propylcarbamate. Following Lipinski's Rule of Five, 1,3-Propanediol, 2,2-diethyl-, carbamate propylcarbamate 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-, carbamate propylcarbamate?
The CAS number of 1,3-Propanediol, 2,2-diethyl-, carbamate propylcarbamate is 25385-17-5.
What is the molecular formula of 1,3-Propanediol, 2,2-diethyl-, carbamate propylcarbamate?
The molecular formula of 1,3-Propanediol, 2,2-diethyl-, carbamate propylcarbamate is C12H24N2O4.
What is the molecular weight of 1,3-Propanediol, 2,2-diethyl-, carbamate propylcarbamate?
The molecular weight of 1,3-Propanediol, 2,2-diethyl-, carbamate propylcarbamate is 260.17 g/mol.
Where can I buy 1,3-Propanediol, 2,2-diethyl-, carbamate propylcarbamate?
You can request a quote for 1,3-Propanediol, 2,2-diethyl-, carbamate propylcarbamate 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-, carbamate propylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanediol, 2,2-diethyl-, carbamate propylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.