2,3-Dimethyl-6-nitrophenyl isocyanate
TL;DR: 2,3-Dimethyl-6-nitrophenyl isocyanate (CAS 302912-25-0) is a chemical compound with molecular formula C9H8N2O3 and molecular weight 192.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-isocyanato-1,2-dimethyl-4-nitrobenzene
Also Known As: 2,3-Dimethyl-6-nitrophenyl isocyanate, 3-isocyanato-1,2-dimethyl-4-nitrobenzene, 2-ISOCYANATO-3,4-DIMETHYL-1-NITROBENZENE, Benzene, 2-isocyanato-3,4-dimethyl-1-nitro-, 3-isocyanato-1,2-dimethyl-4-nitro-benzene
| Molecular Formula | C9H8N2O3 |
|---|---|
| Molecular Weight | 192.05 g/mol |
| LogP | 2.17894 |
| Topological Polar Surface Area | 72.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 192.0535 |
| Heavy Atoms | 14 |
| Complexity | 433.92838 |
Chemical Identifiers
| CAS Number | 302912-25-0 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1)[N+](=O)[O-])N=C=O)C |
Product Overview
2,3-Dimethyl-6-nitrophenyl isocyanate (CAS 302912-25-0), with molecular formula C9H8N2O3 and molecular weight 192.05 g/mol. IUPAC: 3-isocyanato-1,2-dimethyl-4-nitrobenzene.
Chemical Property Profile of 2,3-Dimethyl-6-nitrophenyl isocyanate
Property Insights of 2,3-Dimethyl-6-nitrophenyl isocyanate
The XLogP value of 2.17894 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Dimethyl-6-nitrophenyl isocyanate. The TPSA of 72.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3-Dimethyl-6-nitrophenyl isocyanate. Following Lipinski's Rule of Five, 2,3-Dimethyl-6-nitrophenyl isocyanate 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 2,3-Dimethyl-6-nitrophenyl isocyanate?
The CAS number of 2,3-Dimethyl-6-nitrophenyl isocyanate is 302912-25-0.
What is the molecular formula of 2,3-Dimethyl-6-nitrophenyl isocyanate?
The molecular formula of 2,3-Dimethyl-6-nitrophenyl isocyanate is C9H8N2O3.
What is the molecular weight of 2,3-Dimethyl-6-nitrophenyl isocyanate?
The molecular weight of 2,3-Dimethyl-6-nitrophenyl isocyanate is 192.05 g/mol.
Where can I buy 2,3-Dimethyl-6-nitrophenyl isocyanate?
You can request a quote for 2,3-Dimethyl-6-nitrophenyl isocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Dimethyl-6-nitrophenyl isocyanate?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dimethyl-6-nitrophenyl isocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.