1-Azido-2-methylbenzene
TL;DR: 1-Azido-2-methylbenzene (CAS 31656-92-5) is a chemical compound with molecular formula C7H7N3 and molecular weight 133.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-azido-2-methylbenzene
Also Known As: 1-azido-2-methylbenzene, 2-Azidotoluene solution, Toluene, o-azido-, Benzene, 1-azido-2-methyl-, o-Azidotoluene
| Molecular Formula | C7H7N3 |
|---|---|
| Molecular Weight | 133.06 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 14.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 133.064 |
| Heavy Atoms | 10 |
| Complexity | 149.0 |
Chemical Identifiers
| CAS Number | 31656-92-5 |
|---|---|
| SMILES | CC1=CC=CC=C1N=[N+]=[N-] |
| InChIKey | ZKGVLNVASIPVAU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Azido-2-methylbenzene (CAS 31656-92-5), with molecular formula C7H7N3 and molecular weight 133.06 g/mol. IUPAC: 1-azido-2-methylbenzene.
Chemical Property Profile of 1-Azido-2-methylbenzene
Property Insights of 1-Azido-2-methylbenzene
The XLogP value of 3.2 indicates that 1-Azido-2-methylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 14.4 Ų, 1-Azido-2-methylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Azido-2-methylbenzene has 0 hydrogen bond donor(s) and 2 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 1-Azido-2-methylbenzene?
The CAS number of 1-Azido-2-methylbenzene is 31656-92-5.
What is the molecular formula of 1-Azido-2-methylbenzene?
The molecular formula of 1-Azido-2-methylbenzene is C7H7N3.
What is the molecular weight of 1-Azido-2-methylbenzene?
The molecular weight of 1-Azido-2-methylbenzene is 133.06 g/mol.
Where can I buy 1-Azido-2-methylbenzene?
You can request a quote for 1-Azido-2-methylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Azido-2-methylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Azido-2-methylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.