1,3-Benzenedicarbonyl diazide
TL;DR: 1,3-Benzenedicarbonyl diazide (CAS 3027-36-9) is a chemical compound with molecular formula C8H4N6O2 and molecular weight 216.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzene-1,3-dicarbonyl azide
Also Known As: isophthaloyl diazide, 1,3-Benzenedicarbonyl diazide, benzene-1,3-dicarbonyl azide, 1,3-Benzenedicarbonyldiazide, BENZENE-1,3-DICARBONYL DIAZIDE
| Molecular Formula | C8H4N6O2 |
|---|---|
| Molecular Weight | 216.04 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 62.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.03957 |
| Heavy Atoms | 16 |
| Complexity | 357.0 |
Chemical Identifiers
| CAS Number | 3027-36-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(=O)N=[N+]=[N-])C(=O)N=[N+]=[N-] |
| InChIKey | OYSSCEMVGJEQHM-UHFFFAOYSA-N |
Product Overview
1,3-Benzenedicarbonyl diazide (CAS 3027-36-9), with molecular formula C8H4N6O2 and molecular weight 216.04 g/mol. IUPAC: benzene-1,3-dicarbonyl azide.
Chemical Property Profile of 1,3-Benzenedicarbonyl diazide
Property Insights of 1,3-Benzenedicarbonyl diazide
The XLogP value of 3.6 indicates that 1,3-Benzenedicarbonyl diazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Benzenedicarbonyl diazide. Following Lipinski's Rule of Five, 1,3-Benzenedicarbonyl diazide 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 1,3-Benzenedicarbonyl diazide?
The CAS number of 1,3-Benzenedicarbonyl diazide is 3027-36-9.
What is the molecular formula of 1,3-Benzenedicarbonyl diazide?
The molecular formula of 1,3-Benzenedicarbonyl diazide is C8H4N6O2.
What is the molecular weight of 1,3-Benzenedicarbonyl diazide?
The molecular weight of 1,3-Benzenedicarbonyl diazide is 216.04 g/mol.
Where can I buy 1,3-Benzenedicarbonyl diazide?
You can request a quote for 1,3-Benzenedicarbonyl diazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzenedicarbonyl diazide?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzenedicarbonyl diazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.