2,4-Dimethylphenylisocyanide
TL;DR: 2,4-Dimethylphenylisocyanide (CAS 3100-93-4) is a chemical compound with molecular formula C9H9N and molecular weight 131.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-isocyano-2,4-dimethylbenzene
Also Known As: 1-isocyano-2,4-dimethylbenzene, 2,4-dimethylphenylisocyanide, 2,4-dimethylphenylisonitrile, 1-isocyano-2,4-dimethyl-benzene, Benzene,1-isocyano-2,4-dimethyl-
| Molecular Formula | C9H9N |
|---|---|
| Molecular Weight | 131.07 g/mol |
| LogP | 2.85423 |
| Topological Polar Surface Area | 4.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 131.0735 |
| Heavy Atoms | 10 |
| Complexity | 281.27002 |
Chemical Identifiers
| CAS Number | 3100-93-4 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)[N+]#[C-])C |
Product Overview
2,4-Dimethylphenylisocyanide (CAS 3100-93-4), with molecular formula C9H9N and molecular weight 131.07 g/mol. IUPAC: 1-isocyano-2,4-dimethylbenzene.
Chemical Property Profile of 2,4-Dimethylphenylisocyanide
Property Insights of 2,4-Dimethylphenylisocyanide
The XLogP value of 2.85423 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Dimethylphenylisocyanide. With a topological polar surface area (TPSA) of 4.36 Ų, 2,4-Dimethylphenylisocyanide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Dimethylphenylisocyanide has 0 hydrogen bond donor(s) and 0 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 2,4-Dimethylphenylisocyanide?
The CAS number of 2,4-Dimethylphenylisocyanide is 3100-93-4.
What is the molecular formula of 2,4-Dimethylphenylisocyanide?
The molecular formula of 2,4-Dimethylphenylisocyanide is C9H9N.
What is the molecular weight of 2,4-Dimethylphenylisocyanide?
The molecular weight of 2,4-Dimethylphenylisocyanide is 131.07 g/mol.
Where can I buy 2,4-Dimethylphenylisocyanide?
You can request a quote for 2,4-Dimethylphenylisocyanide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dimethylphenylisocyanide?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dimethylphenylisocyanide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.