Dienone B
TL;DR: Dienone B (CAS 17194-81-9) is a chemical compound with molecular formula C8H7Br2NO3 and molecular weight 322.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,5-dibromo-1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetamide
Also Known As: Dienone B, Dibromoverongia-quinol, VERONGIAQUINOL, Aeroplysinin-1 dienone, dibromocyclohexadienone
| Molecular Formula | C8H7Br2NO3 |
|---|---|
| Molecular Weight | 322.88 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 80.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 324.87723 |
| Heavy Atoms | 14 |
| Complexity | 338.0 |
Chemical Identifiers
| CAS Number | 17194-81-9 |
|---|---|
| SMILES | C1=C(C(=O)C(=CC1(CC(=O)N)O)Br)Br |
| InChIKey | OPJJYFWUWHEWDE-UHFFFAOYSA-N |
Product Overview
Dienone B (CAS 17194-81-9), with molecular formula C8H7Br2NO3 and molecular weight 322.88 g/mol. IUPAC: 2-(3,5-dibromo-1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetamide.
Chemical Property Profile of Dienone B
Property Insights of Dienone B
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dienone B. The TPSA of 80.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Dienone B. Following Lipinski's Rule of Five, Dienone B has 2 hydrogen bond donor(s) and 3 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 Dienone B?
The CAS number of Dienone B is 17194-81-9.
What is the molecular formula of Dienone B?
The molecular formula of Dienone B is C8H7Br2NO3.
What is the molecular weight of Dienone B?
The molecular weight of Dienone B is 322.88 g/mol.
Where can I buy Dienone B?
You can request a quote for Dienone B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dienone B?
Yes, KEHONG BIO provides custom synthesis services for Dienone B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.