间异丙苯基甲基亚硝基氨基甲酸酯
TL;DR: 间异丙苯基甲基亚硝基氨基甲酸酯 (CAS 18952-79-9) is a chemical compound with molecular formula C11H14N2O3 and molecular weight 222.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
间异丙苯基甲基亚硝基氨基甲酸酯
(3-propan-2-ylphenyl) N-methyl-N-nitrosocarbamate
Also Known As: Hercules 11771-C, Hercules-11771-C, m-Cumenyl methylnitrosocarbamate, (3-propan-2-ylphenyl) N-methyl-N-nitrosocarbamate, 3-(1-Methylethyl)phenyl methylnitrosocarbamate
| Molecular Formula | C11H14N2O3 |
|---|---|
| Molecular Weight | 222.10 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 222.10045 |
| Heavy Atoms | 16 |
| Complexity | 256.0 |
Chemical Identifiers
| CAS Number | 18952-79-9 |
|---|---|
| SMILES | CC(C)C1=CC(=CC=C1)OC(=O)N(C)N=O |
| InChIKey | AJHKCJXLTDAPCQ-UHFFFAOYSA-N |
Product Overview
间异丙苯基甲基亚硝基氨基甲酸酯 (CAS 18952-79-9), with molecular formula C11H14N2O3 and molecular weight 222.10 g/mol. IUPAC: (3-propan-2-ylphenyl) N-methyl-N-nitrosocarbamate.
Chemical Property Profile of 间异丙苯基甲基亚硝基氨基甲酸酯
Property Insights of 间异丙苯基甲基亚硝基氨基甲酸酯
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 间异丙苯基甲基亚硝基氨基甲酸酯. With a topological polar surface area (TPSA) of 59.0 Ų, 间异丙苯基甲基亚硝基氨基甲酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 间异丙苯基甲基亚硝基氨基甲酸酯 has 0 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 间异丙苯基甲基亚硝基氨基甲酸酯?
The CAS number of 间异丙苯基甲基亚硝基氨基甲酸酯 is 18952-79-9.
What is the molecular formula of 间异丙苯基甲基亚硝基氨基甲酸酯?
The molecular formula of 间异丙苯基甲基亚硝基氨基甲酸酯 is C11H14N2O3.
What is the molecular weight of 间异丙苯基甲基亚硝基氨基甲酸酯?
The molecular weight of 间异丙苯基甲基亚硝基氨基甲酸酯 is 222.10 g/mol.
Where can I buy 间异丙苯基甲基亚硝基氨基甲酸酯?
You can request a quote for 间异丙苯基甲基亚硝基氨基甲酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 间异丙苯基甲基亚硝基氨基甲酸酯?
Yes, KEHONG BIO provides custom synthesis services for 间异丙苯基甲基亚硝基氨基甲酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.