2-(羟甲基)-2-苯基丁基二甲基氨基甲酸酯
TL;DR: 2-(羟甲基)-2-苯基丁基二甲基氨基甲酸酯 (CAS 25384-55-8) is a chemical compound with molecular formula C14H21NO3 and molecular weight 251.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(羟甲基)-2-苯基丁基二甲基氨基甲酸酯
[2-(hydroxymethyl)-2-phenylbutyl] N,N-dimethylcarbamate
Also Known As: 2-(hydroxymethyl)-2-phenylbutyl dimethylcarbamate, 2-Ethyl-2-phenyl-1,3-propanediol dimethylcarbamate, 1,3-Propanediol, 2-ethyl-2-phenyl-, dimethylcarbamate, 2-(Hydroxymethyl)-2-phenylbutyl=dimethylcarbamate, [2-(hydroxymethyl)-2-phenylbutyl] N,N-dimethylcarbamate
| Molecular Formula | C14H21NO3 |
|---|---|
| Molecular Weight | 251.15 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 251.15215 |
| Heavy Atoms | 18 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 25384-55-8 |
|---|---|
| SMILES | CCC(CO)(COC(=O)N(C)C)C1=CC=CC=C1 |
| InChIKey | FVYNXBCYHZXKIV-UHFFFAOYSA-N |
Product Overview
2-(羟甲基)-2-苯基丁基二甲基氨基甲酸酯 (CAS 25384-55-8), with molecular formula C14H21NO3 and molecular weight 251.15 g/mol. IUPAC: [2-(hydroxymethyl)-2-phenylbutyl] N,N-dimethylcarbamate.
Chemical Property Profile of 2-(羟甲基)-2-苯基丁基二甲基氨基甲酸酯
Property Insights of 2-(羟甲基)-2-苯基丁基二甲基氨基甲酸酯
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(羟甲基)-2-苯基丁基二甲基氨基甲酸酯. With a topological polar surface area (TPSA) of 49.8 Ų, 2-(羟甲基)-2-苯基丁基二甲基氨基甲酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(羟甲基)-2-苯基丁基二甲基氨基甲酸酯 has 1 hydrogen bond donor(s) and 3 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-(羟甲基)-2-苯基丁基二甲基氨基甲酸酯?
The CAS number of 2-(羟甲基)-2-苯基丁基二甲基氨基甲酸酯 is 25384-55-8.
What is the molecular formula of 2-(羟甲基)-2-苯基丁基二甲基氨基甲酸酯?
The molecular formula of 2-(羟甲基)-2-苯基丁基二甲基氨基甲酸酯 is C14H21NO3.
What is the molecular weight of 2-(羟甲基)-2-苯基丁基二甲基氨基甲酸酯?
The molecular weight of 2-(羟甲基)-2-苯基丁基二甲基氨基甲酸酯 is 251.15 g/mol.
Where can I buy 2-(羟甲基)-2-苯基丁基二甲基氨基甲酸酯?
You can request a quote for 2-(羟甲基)-2-苯基丁基二甲基氨基甲酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(羟甲基)-2-苯基丁基二甲基氨基甲酸酯?
Yes, KEHONG BIO provides custom synthesis services for 2-(羟甲基)-2-苯基丁基二甲基氨基甲酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.