2,5-Cyclohexadien-1-one, 4-bromoimino-
TL;DR: 2,5-Cyclohexadien-1-one, 4-bromoimino- (CAS 64693-23-8) is a chemical compound with molecular formula C6H4BrNO and molecular weight 184.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromoiminocyclohexa-2,5-dien-1-one
Also Known As: 2, 4-bromoimino-, 2, 4-(bromoimino)-, 2,5-Cyclohexadien-1-one, 4-bromoimino-, 4-bromoiminocyclohexa-2,5-dien-1-one, 1,4-benzoquinone-N-bromoimine
| Molecular Formula | C6H4BrNO |
|---|---|
| Molecular Weight | 184.95 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 29.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 184.94763 |
| Heavy Atoms | 9 |
| Complexity | 197.0 |
Chemical Identifiers
| CAS Number | 64693-23-8 |
|---|---|
| SMILES | C1=CC(=O)C=CC1=NBr |
| InChIKey | PZZRNAITVRJAKV-UHFFFAOYSA-N |
Product Overview
2,5-Cyclohexadien-1-one, 4-bromoimino- (CAS 64693-23-8), with molecular formula C6H4BrNO and molecular weight 184.95 g/mol. IUPAC: 4-bromoiminocyclohexa-2,5-dien-1-one.
Chemical Property Profile of 2,5-Cyclohexadien-1-one, 4-bromoimino-
Property Insights of 2,5-Cyclohexadien-1-one, 4-bromoimino-
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Cyclohexadien-1-one, 4-bromoimino-. With a topological polar surface area (TPSA) of 29.4 Ų, 2,5-Cyclohexadien-1-one, 4-bromoimino- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Cyclohexadien-1-one, 4-bromoimino- 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 2,5-Cyclohexadien-1-one, 4-bromoimino-?
The CAS number of 2,5-Cyclohexadien-1-one, 4-bromoimino- is 64693-23-8.
What is the molecular formula of 2,5-Cyclohexadien-1-one, 4-bromoimino-?
The molecular formula of 2,5-Cyclohexadien-1-one, 4-bromoimino- is C6H4BrNO.
What is the molecular weight of 2,5-Cyclohexadien-1-one, 4-bromoimino-?
The molecular weight of 2,5-Cyclohexadien-1-one, 4-bromoimino- is 184.95 g/mol.
Where can I buy 2,5-Cyclohexadien-1-one, 4-bromoimino-?
You can request a quote for 2,5-Cyclohexadien-1-one, 4-bromoimino- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Cyclohexadien-1-one, 4-bromoimino-?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Cyclohexadien-1-one, 4-bromoimino- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.