![4-[(3,5-Dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenolate structure](/static/products/1493/149353-29-7.webp)
4-[(3,5-Dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenolate
TL;DR: 4-[(3,5-Dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenolate (CAS 149353-29-7) is a chemical compound with molecular formula C12H6Cl2NO2- and molecular weight 265.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-dichloro-4-[(4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenolate
Also Known As: J3.514.158H, 4-[(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenolate, 4-(3,5-Dichloro-4-oxo-2,5-cyclohexadienylideneamino)phenol anion, 2,6-dichloro-4-[(4-oxo-1-cyclohexa-2,5-dienylidene)amino]phenolate, 2,6-Dichloro-4-[(4-oxo-2,5-cyclohexadien-1-ylidene)amino]phenol anion
| Molecular Formula | C12H6Cl2NO2- |
|---|---|
| Molecular Weight | 265.98 g/mol |
| LogP | 2.8346 |
| Topological Polar Surface Area | 52.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 265.97757 |
| Heavy Atoms | 17 |
| Complexity | 532.8635 |
Chemical Identifiers
| CAS Number | 149353-29-7 |
|---|---|
| SMILES | C1=CC(=O)C=CC1=NC2=CC(=C(C(=C2)Cl)[O-])Cl |
Product Overview
4-[(3,5-Dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenolate (CAS 149353-29-7), with molecular formula C12H6Cl2NO2- and molecular weight 265.98 g/mol. IUPAC: 2,6-dichloro-4-[(4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenolate.
Chemical Property Profile of 4-[(3,5-Dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenolate
Property Insights of 4-[(3,5-Dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenolate
The XLogP value of 2.8346 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(3,5-Dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenolate. With a topological polar surface area (TPSA) of 52.49 Ų, 4-[(3,5-Dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenolate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[(3,5-Dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenolate has 0 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 4-[(3,5-Dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenolate?
The CAS number of 4-[(3,5-Dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenolate is 149353-29-7.
What is the molecular formula of 4-[(3,5-Dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenolate?
The molecular formula of 4-[(3,5-Dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenolate is C12H6Cl2NO2-.
What is the molecular weight of 4-[(3,5-Dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenolate?
The molecular weight of 4-[(3,5-Dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenolate is 265.98 g/mol.
Where can I buy 4-[(3,5-Dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenolate?
You can request a quote for 4-[(3,5-Dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenolate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(3,5-Dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenolate?
Yes, KEHONG BIO provides custom synthesis services for 4-[(3,5-Dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenolate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.