5,5-二甲基-1-己醇氨基甲酸酯
TL;DR: 5,5-二甲基-1-己醇氨基甲酸酯 (CAS 3121-85-5) is a chemical compound with molecular formula C9H19NO2 and molecular weight 173.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5-二甲基-1-己醇氨基甲酸酯
5,5-dimethylhexyl carbamate
Also Known As: 5,5-dimethylhexyl carbamate, 5,5-Dimethyl-1-hexanol carbamate, 5,5-Dimethylhexyl ester of carbamic acid, Carbamic acid, 5,5-dimethylhexyl ester, 1-HEXANOL, 5,5-DIMETHYL-, CARBAMATE
| Molecular Formula | C9H19NO2 |
|---|---|
| Molecular Weight | 173.14 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 173.14159 |
| Heavy Atoms | 12 |
| Complexity | 138.0 |
Chemical Identifiers
| CAS Number | 3121-85-5 |
|---|---|
| SMILES | CC(C)(C)CCCCOC(=O)N |
| InChIKey | UWUWSCUCCLLFFD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5,5-二甲基-1-己醇氨基甲酸酯 (CAS 3121-85-5), with molecular formula C9H19NO2 and molecular weight 173.14 g/mol. IUPAC: 5,5-dimethylhexyl carbamate.
Chemical Property Profile of 5,5-二甲基-1-己醇氨基甲酸酯
Property Insights of 5,5-二甲基-1-己醇氨基甲酸酯
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,5-二甲基-1-己醇氨基甲酸酯. With a topological polar surface area (TPSA) of 52.3 Ų, 5,5-二甲基-1-己醇氨基甲酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,5-二甲基-1-己醇氨基甲酸酯 has 1 hydrogen bond donor(s) and 2 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 5,5-二甲基-1-己醇氨基甲酸酯?
The CAS number of 5,5-二甲基-1-己醇氨基甲酸酯 is 3121-85-5.
What is the molecular formula of 5,5-二甲基-1-己醇氨基甲酸酯?
The molecular formula of 5,5-二甲基-1-己醇氨基甲酸酯 is C9H19NO2.
What is the molecular weight of 5,5-二甲基-1-己醇氨基甲酸酯?
The molecular weight of 5,5-二甲基-1-己醇氨基甲酸酯 is 173.14 g/mol.
Where can I buy 5,5-二甲基-1-己醇氨基甲酸酯?
You can request a quote for 5,5-二甲基-1-己醇氨基甲酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,5-二甲基-1-己醇氨基甲酸酯?
Yes, KEHONG BIO provides custom synthesis services for 5,5-二甲基-1-己醇氨基甲酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.