1,3-Propanediol, 2-ethyl-2-isopropyl-, carbamate, isopropylcarbamate
TL;DR: 1,3-Propanediol, 2-ethyl-2-isopropyl-, carbamate, isopropylcarbamate (CAS 25385-22-2) 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-(carbamoyloxymethyl)-2-ethyl-3-methylbutyl] N-propan-2-ylcarbamate
Also Known As: 2-Ethyl-2-isopropyl-1,3-propanediol carbamate isopropylcarbamate, 1,3-Propanediol, 2-ethyl-2-isopropyl-, carbamate, isopropylcarbamate, N,2-Diisopropyl-2-aethyl-1,3-dicarbamoyloxy-propan, n-isopropylcarbamicacid2-2-ethyl-3-methylbutylester, N-Isopropylcarbamicacid2- -2-ethyl-3-methylbutylester
| Molecular Formula | C13H26N2O4 |
|---|---|
| Molecular Weight | 274.19 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 90.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 274.18927 |
| Heavy Atoms | 19 |
| Complexity | 305.0 |
Chemical Identifiers
| CAS Number | 25385-22-2 |
|---|---|
| SMILES | CCC(COC(=O)N)(COC(=O)NC(C)C)C(C)C |
| InChIKey | GMCIKUIXWWYNKS-UHFFFAOYSA-N |
Product Overview
1,3-Propanediol, 2-ethyl-2-isopropyl-, carbamate, isopropylcarbamate (CAS 25385-22-2), with molecular formula C13H26N2O4 and molecular weight 274.19 g/mol. IUPAC: [2-(carbamoyloxymethyl)-2-ethyl-3-methylbutyl] N-propan-2-ylcarbamate.
Chemical Property Profile of 1,3-Propanediol, 2-ethyl-2-isopropyl-, carbamate, isopropylcarbamate
Property Insights of 1,3-Propanediol, 2-ethyl-2-isopropyl-, carbamate, isopropylcarbamate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Propanediol, 2-ethyl-2-isopropyl-, carbamate, isopropylcarbamate. The TPSA of 90.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Propanediol, 2-ethyl-2-isopropyl-, carbamate, isopropylcarbamate. Following Lipinski's Rule of Five, 1,3-Propanediol, 2-ethyl-2-isopropyl-, carbamate, isopropylcarbamate 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-ethyl-2-isopropyl-, carbamate, isopropylcarbamate?
The CAS number of 1,3-Propanediol, 2-ethyl-2-isopropyl-, carbamate, isopropylcarbamate is 25385-22-2.
What is the molecular formula of 1,3-Propanediol, 2-ethyl-2-isopropyl-, carbamate, isopropylcarbamate?
The molecular formula of 1,3-Propanediol, 2-ethyl-2-isopropyl-, carbamate, isopropylcarbamate is C13H26N2O4.
What is the molecular weight of 1,3-Propanediol, 2-ethyl-2-isopropyl-, carbamate, isopropylcarbamate?
The molecular weight of 1,3-Propanediol, 2-ethyl-2-isopropyl-, carbamate, isopropylcarbamate is 274.19 g/mol.
Where can I buy 1,3-Propanediol, 2-ethyl-2-isopropyl-, carbamate, isopropylcarbamate?
You can request a quote for 1,3-Propanediol, 2-ethyl-2-isopropyl-, carbamate, isopropylcarbamate 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-ethyl-2-isopropyl-, carbamate, isopropylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanediol, 2-ethyl-2-isopropyl-, carbamate, isopropylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.