N-异丙亚基-3-异丙烯基苯甲酰胺
TL;DR: N-异丙亚基-3-异丙烯基苯甲酰胺 (CAS 2094-99-7) is a chemical compound with molecular formula C13H15NO and molecular weight 201.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-异丙亚基-3-异丙烯基苯甲酰胺
N-propan-2-ylidene-3-prop-1-en-2-ylbenzamide
Also Known As: m-TMI, m-Tetramethylxylene isocyanate, m-Isopropenyl cumyl isocyanate, 3-isopropenyl-N-isopropylidene-benzamide, 3-Isopropenyl-?,?-dimethylbenzyl isocyanate
| Molecular Formula | C13H15NO |
|---|---|
| Molecular Weight | 201.12 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 29.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 201.11537 |
| Heavy Atoms | 15 |
| Complexity | 287.0 |
Chemical Identifiers
| CAS Number | 2094-99-7 |
|---|---|
| SMILES | CC(=NC(=O)C1=CC=CC(=C1)C(=C)C)C |
| InChIKey | GSXKEHUTLZDROA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-异丙亚基-3-异丙烯基苯甲酰胺 (CAS 2094-99-7), with molecular formula C13H15NO and molecular weight 201.12 g/mol. IUPAC: N-propan-2-ylidene-3-prop-1-en-2-ylbenzamide.
Chemical Property Profile of N-异丙亚基-3-异丙烯基苯甲酰胺
Property Insights of N-异丙亚基-3-异丙烯基苯甲酰胺
The XLogP value of 3.1 indicates that N-异丙亚基-3-异丙烯基苯甲酰胺 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.4 Ų, N-异丙亚基-3-异丙烯基苯甲酰胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-异丙亚基-3-异丙烯基苯甲酰胺 has 0 hydrogen bond donor(s) and 1 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 N-异丙亚基-3-异丙烯基苯甲酰胺?
The CAS number of N-异丙亚基-3-异丙烯基苯甲酰胺 is 2094-99-7.
What is the molecular formula of N-异丙亚基-3-异丙烯基苯甲酰胺?
The molecular formula of N-异丙亚基-3-异丙烯基苯甲酰胺 is C13H15NO.
What is the molecular weight of N-异丙亚基-3-异丙烯基苯甲酰胺?
The molecular weight of N-异丙亚基-3-异丙烯基苯甲酰胺 is 201.12 g/mol.
Where can I buy N-异丙亚基-3-异丙烯基苯甲酰胺?
You can request a quote for N-异丙亚基-3-异丙烯基苯甲酰胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-异丙亚基-3-异丙烯基苯甲酰胺?
Yes, KEHONG BIO provides custom synthesis services for N-异丙亚基-3-异丙烯基苯甲酰胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.