2-羟甲基-2-甲基戊基异丙基氨基甲酸酯
TL;DR: 2-羟甲基-2-甲基戊基异丙基氨基甲酸酯 (CAS 25462-17-3) is a chemical compound with molecular formula C11H23NO3 and molecular weight 217.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-羟甲基-2-甲基戊基异丙基氨基甲酸酯
[2-(hydroxymethyl)-2-methylpentyl] N-propan-2-ylcarbamate
Also Known As: 2-(Hydroxymethyl)-2-methylpentyl isopropyl-carbamate, Carisoprodol EP Impurity A, thyl-2-methyl-pentyl ester, 2-(Hydroxymethyl)-2-methylpentyl isopropylcarbamate, CARISOPRODOL MONOCARBAMATE
| Molecular Formula | C11H23NO3 |
|---|---|
| Molecular Weight | 217.17 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 217.1678 |
| Heavy Atoms | 15 |
| Complexity | 194.0 |
Chemical Identifiers
| CAS Number | 25462-17-3 |
|---|---|
| SMILES | CCCC(C)(CO)COC(=O)NC(C)C |
| InChIKey | CYKYMRWEPMUFSS-UHFFFAOYSA-N |
Product Overview
2-羟甲基-2-甲基戊基异丙基氨基甲酸酯 (CAS 25462-17-3), with molecular formula C11H23NO3 and molecular weight 217.17 g/mol. IUPAC: [2-(hydroxymethyl)-2-methylpentyl] N-propan-2-ylcarbamate.
Chemical Property Profile of 2-羟甲基-2-甲基戊基异丙基氨基甲酸酯
Property Insights of 2-羟甲基-2-甲基戊基异丙基氨基甲酸酯
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-羟甲基-2-甲基戊基异丙基氨基甲酸酯. With a topological polar surface area (TPSA) of 58.6 Ų, 2-羟甲基-2-甲基戊基异丙基氨基甲酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-羟甲基-2-甲基戊基异丙基氨基甲酸酯 has 2 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-甲基戊基异丙基氨基甲酸酯?
The CAS number of 2-羟甲基-2-甲基戊基异丙基氨基甲酸酯 is 25462-17-3.
What is the molecular formula of 2-羟甲基-2-甲基戊基异丙基氨基甲酸酯?
The molecular formula of 2-羟甲基-2-甲基戊基异丙基氨基甲酸酯 is C11H23NO3.
What is the molecular weight of 2-羟甲基-2-甲基戊基异丙基氨基甲酸酯?
The molecular weight of 2-羟甲基-2-甲基戊基异丙基氨基甲酸酯 is 217.17 g/mol.
Where can I buy 2-羟甲基-2-甲基戊基异丙基氨基甲酸酯?
You can request a quote for 2-羟甲基-2-甲基戊基异丙基氨基甲酸酯 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-甲基戊基异丙基氨基甲酸酯?
Yes, KEHONG BIO provides custom synthesis services for 2-羟甲基-2-甲基戊基异丙基氨基甲酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.