2-仲丁基-2-乙基-1,3-丙二醇二氨基甲酸酯
TL;DR: 2-仲丁基-2-乙基-1,3-丙二醇二氨基甲酸酯 (CAS 25450-90-2) is a chemical compound with molecular formula C11H22N2O4 and molecular weight 246.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-仲丁基-2-乙基-1,3-丙二醇二氨基甲酸酯
[2-(carbamoyloxymethyl)-2-ethyl-3-methylpentyl] carbamate
Also Known As: azane,ethyl dihydrogen phosphate, 1,3-Propanediol, 2-sec-butyl-2-ethyl-, dicarbamate, 2-sec-Butyl-2-ethyl-1,3-propanediol dicarbamate, 1,3-propanediol, 2-ethyl-2-(1-methylpropyl)-, dicarbamate, Dicarbamic acid 2-sec-butyl-2-ethyltrimethylene ester
| Molecular Formula | C11H22N2O4 |
|---|---|
| Molecular Weight | 246.16 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 246.15796 |
| Heavy Atoms | 17 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 25450-90-2 |
|---|---|
| SMILES | CCC(C)C(CC)(COC(=O)N)COC(=O)N |
| InChIKey | GPTQBJOBBYXFDM-UHFFFAOYSA-N |
Product Overview
2-仲丁基-2-乙基-1,3-丙二醇二氨基甲酸酯 (CAS 25450-90-2), with molecular formula C11H22N2O4 and molecular weight 246.16 g/mol. IUPAC: [2-(carbamoyloxymethyl)-2-ethyl-3-methylpentyl] carbamate.
Chemical Property Profile of 2-仲丁基-2-乙基-1,3-丙二醇二氨基甲酸酯
Property Insights of 2-仲丁基-2-乙基-1,3-丙二醇二氨基甲酸酯
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-仲丁基-2-乙基-1,3-丙二醇二氨基甲酸酯. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-仲丁基-2-乙基-1,3-丙二醇二氨基甲酸酯. Following Lipinski's Rule of Five, 2-仲丁基-2-乙基-1,3-丙二醇二氨基甲酸酯 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 2-仲丁基-2-乙基-1,3-丙二醇二氨基甲酸酯?
The CAS number of 2-仲丁基-2-乙基-1,3-丙二醇二氨基甲酸酯 is 25450-90-2.
What is the molecular formula of 2-仲丁基-2-乙基-1,3-丙二醇二氨基甲酸酯?
The molecular formula of 2-仲丁基-2-乙基-1,3-丙二醇二氨基甲酸酯 is C11H22N2O4.
What is the molecular weight of 2-仲丁基-2-乙基-1,3-丙二醇二氨基甲酸酯?
The molecular weight of 2-仲丁基-2-乙基-1,3-丙二醇二氨基甲酸酯 is 246.16 g/mol.
Where can I buy 2-仲丁基-2-乙基-1,3-丙二醇二氨基甲酸酯?
You can request a quote for 2-仲丁基-2-乙基-1,3-丙二醇二氨基甲酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-仲丁基-2-乙基-1,3-丙二醇二氨基甲酸酯?
Yes, KEHONG BIO provides custom synthesis services for 2-仲丁基-2-乙基-1,3-丙二醇二氨基甲酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.