3-Chloro-6-diazocyclohexa-2,4-dienone
TL;DR: 3-Chloro-6-diazocyclohexa-2,4-dienone (CAS 89284-62-8) is a chemical compound with molecular formula C6H3ClN2O and molecular weight 153.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-6-diazoniophenolate
Also Known As: 2-chloro-6-diazoniophenolate, 3-Chloro-6-diazocyclohexa-2,4-dienone, 2-Chloro-6-diazo-2,4-cyclohexadien-1-one, 2-Chloro-6-diazocyclohexa-2,4-dien-1-one, 2,4-Cyclohexadien-1-one,2-chloro-6-diazo-
| Molecular Formula | C6H3ClN2O |
|---|---|
| Molecular Weight | 153.99 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 51.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 153.9934 |
| Heavy Atoms | 10 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 89284-62-8 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)[O-])[N+]#N |
| InChIKey | MEVNVCNNAPGORH-UHFFFAOYSA-N |
Product Overview
3-Chloro-6-diazocyclohexa-2,4-dienone (CAS 89284-62-8), with molecular formula C6H3ClN2O and molecular weight 153.99 g/mol. IUPAC: 2-chloro-6-diazoniophenolate.
Chemical Property Profile of 3-Chloro-6-diazocyclohexa-2,4-dienone
Property Insights of 3-Chloro-6-diazocyclohexa-2,4-dienone
The XLogP value of 3.5 indicates that 3-Chloro-6-diazocyclohexa-2,4-dienone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.2 Ų, 3-Chloro-6-diazocyclohexa-2,4-dienone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-6-diazocyclohexa-2,4-dienone 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 3-Chloro-6-diazocyclohexa-2,4-dienone?
The CAS number of 3-Chloro-6-diazocyclohexa-2,4-dienone is 89284-62-8.
What is the molecular formula of 3-Chloro-6-diazocyclohexa-2,4-dienone?
The molecular formula of 3-Chloro-6-diazocyclohexa-2,4-dienone is C6H3ClN2O.
What is the molecular weight of 3-Chloro-6-diazocyclohexa-2,4-dienone?
The molecular weight of 3-Chloro-6-diazocyclohexa-2,4-dienone is 153.99 g/mol.
Where can I buy 3-Chloro-6-diazocyclohexa-2,4-dienone?
You can request a quote for 3-Chloro-6-diazocyclohexa-2,4-dienone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-6-diazocyclohexa-2,4-dienone?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-6-diazocyclohexa-2,4-dienone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.