2,3,5,6-Tetramethylbenzonitrile oxide
TL;DR: 2,3,5,6-Tetramethylbenzonitrile oxide (CAS 2904-58-7) is a chemical compound with molecular formula C11H13NO and molecular weight 175.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,5,6-tetramethylbenzonitrile oxide
Also Known As: Kubosol Gray S, Anthrasol Grey IMG, Vat Solubilized Gray S, NCIOpen2_000720, 2,3,5,6-Tetramethylbenzonitrile oxide
| Molecular Formula | C11H13NO |
|---|---|
| Molecular Weight | 175.10 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 175.09972 |
| Heavy Atoms | 13 |
| Complexity | 223.0 |
Chemical Identifiers
| CAS Number | 2904-58-7 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1C)C#[N+][O-])C)C |
| InChIKey | MEAZFTNDZHVRDA-UHFFFAOYSA-N |
Product Overview
2,3,5,6-Tetramethylbenzonitrile oxide (CAS 2904-58-7), with molecular formula C11H13NO and molecular weight 175.10 g/mol. IUPAC: 2,3,5,6-tetramethylbenzonitrile oxide.
Chemical Property Profile of 2,3,5,6-Tetramethylbenzonitrile oxide
Property Insights of 2,3,5,6-Tetramethylbenzonitrile oxide
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3,5,6-Tetramethylbenzonitrile oxide. With a topological polar surface area (TPSA) of 30.7 Ų, 2,3,5,6-Tetramethylbenzonitrile oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,5,6-Tetramethylbenzonitrile oxide 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 2,3,5,6-Tetramethylbenzonitrile oxide?
The CAS number of 2,3,5,6-Tetramethylbenzonitrile oxide is 2904-58-7.
What is the molecular formula of 2,3,5,6-Tetramethylbenzonitrile oxide?
The molecular formula of 2,3,5,6-Tetramethylbenzonitrile oxide is C11H13NO.
What is the molecular weight of 2,3,5,6-Tetramethylbenzonitrile oxide?
The molecular weight of 2,3,5,6-Tetramethylbenzonitrile oxide is 175.10 g/mol.
Where can I buy 2,3,5,6-Tetramethylbenzonitrile oxide?
You can request a quote for 2,3,5,6-Tetramethylbenzonitrile oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,5,6-Tetramethylbenzonitrile oxide?
Yes, KEHONG BIO provides custom synthesis services for 2,3,5,6-Tetramethylbenzonitrile oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.