异丁基二羟甲基氨基甲酸酯
TL;DR: 异丁基二羟甲基氨基甲酸酯 (CAS 52304-17-3) is a chemical compound with molecular formula C7H15NO4 and molecular weight 177.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
异丁基二羟甲基氨基甲酸酯
2-methylpropyl N,N-bis(hydroxymethyl)carbamate
Also Known As: Isobutyl N,N-dimethylolcarbamate, isobutylbis carbamate, Dimethylol isobutyl carbamate, Isobutyl bis(hydroxymethyl)carbamate, ISOBUTYL DIMETHYLOLCARBAMATE
| Molecular Formula | C7H15NO4 |
|---|---|
| Molecular Weight | 177.10 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 70.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 177.10011 |
| Heavy Atoms | 12 |
| Complexity | 133.0 |
Chemical Identifiers
| CAS Number | 52304-17-3 |
|---|---|
| SMILES | CC(C)COC(=O)N(CO)CO |
| InChIKey | SINROXZVULQBQU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
异丁基二羟甲基氨基甲酸酯 (CAS 52304-17-3), with molecular formula C7H15NO4 and molecular weight 177.10 g/mol. IUPAC: 2-methylpropyl N,N-bis(hydroxymethyl)carbamate.
Chemical Property Profile of 异丁基二羟甲基氨基甲酸酯
Property Insights of 异丁基二羟甲基氨基甲酸酯
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 异丁基二羟甲基氨基甲酸酯. The TPSA of 70.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 异丁基二羟甲基氨基甲酸酯. Following Lipinski's Rule of Five, 异丁基二羟甲基氨基甲酸酯 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 异丁基二羟甲基氨基甲酸酯?
The CAS number of 异丁基二羟甲基氨基甲酸酯 is 52304-17-3.
What is the molecular formula of 异丁基二羟甲基氨基甲酸酯?
The molecular formula of 异丁基二羟甲基氨基甲酸酯 is C7H15NO4.
What is the molecular weight of 异丁基二羟甲基氨基甲酸酯?
The molecular weight of 异丁基二羟甲基氨基甲酸酯 is 177.10 g/mol.
Where can I buy 异丁基二羟甲基氨基甲酸酯?
You can request a quote for 异丁基二羟甲基氨基甲酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 异丁基二羟甲基氨基甲酸酯?
Yes, KEHONG BIO provides custom synthesis services for 异丁基二羟甲基氨基甲酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.