2-(1-甲基丁基)-1,3-丙二醇二氨基甲酸酯
TL;DR: 2-(1-甲基丁基)-1,3-丙二醇二氨基甲酸酯 (CAS 25462-25-3) is a chemical compound with molecular formula C10H20N2O4 and molecular weight 232.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-甲基丁基)-1,3-丙二醇二氨基甲酸酯
[2-(carbamoyloxymethyl)-3-methylhexyl] carbamate
Also Known As: 1,3-Propanediol, 2-(1-methylbutyl)-, dicarbamate, 2-(1-Methylbutyl)-1,3-propanediol dicarbamate, 2-[(carbamoyloxy)methyl]-3-methylhexyl carbamate, [2-(carbamoyloxymethyl)-3-methylhexyl] carbamate, Dicarbamic acid 2-(1-methylbutyl)trimethylene ester
| Molecular Formula | C10H20N2O4 |
|---|---|
| Molecular Weight | 232.14 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 232.1423 |
| Heavy Atoms | 16 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 25462-25-3 |
|---|---|
| SMILES | CCCC(C)C(COC(=O)N)COC(=O)N |
| InChIKey | NPDPUYGJRPGBBN-UHFFFAOYSA-N |
Product Overview
2-(1-甲基丁基)-1,3-丙二醇二氨基甲酸酯 (CAS 25462-25-3), with molecular formula C10H20N2O4 and molecular weight 232.14 g/mol. IUPAC: [2-(carbamoyloxymethyl)-3-methylhexyl] carbamate.
Chemical Property Profile of 2-(1-甲基丁基)-1,3-丙二醇二氨基甲酸酯
Property Insights of 2-(1-甲基丁基)-1,3-丙二醇二氨基甲酸酯
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1-甲基丁基)-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-(1-甲基丁基)-1,3-丙二醇二氨基甲酸酯. Following Lipinski's Rule of Five, 2-(1-甲基丁基)-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-(1-甲基丁基)-1,3-丙二醇二氨基甲酸酯?
The CAS number of 2-(1-甲基丁基)-1,3-丙二醇二氨基甲酸酯 is 25462-25-3.
What is the molecular formula of 2-(1-甲基丁基)-1,3-丙二醇二氨基甲酸酯?
The molecular formula of 2-(1-甲基丁基)-1,3-丙二醇二氨基甲酸酯 is C10H20N2O4.
What is the molecular weight of 2-(1-甲基丁基)-1,3-丙二醇二氨基甲酸酯?
The molecular weight of 2-(1-甲基丁基)-1,3-丙二醇二氨基甲酸酯 is 232.14 g/mol.
Where can I buy 2-(1-甲基丁基)-1,3-丙二醇二氨基甲酸酯?
You can request a quote for 2-(1-甲基丁基)-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-(1-甲基丁基)-1,3-丙二醇二氨基甲酸酯?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-甲基丁基)-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.