![sodium 2-[(3-chloro-4-hydroxyphenyl)(3-chloro-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonate structure](/static/products/123/123333-64-2.png)
sodium 2-[(3-chloro-4-hydroxyphenyl)(3-chloro-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonate
TL;DR: sodium 2-[(3-chloro-4-hydroxyphenyl)(3-chloro-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonate (CAS 123333-64-2) is a chemical compound with molecular formula C19H11Cl2NaO5S and molecular weight 443.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium 2-[(3-chloro-4-hydroxyphenyl)-(3-chloro-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonate
Also Known As: sodium 2-[(3-chloro-4-hydroxyphenyl)(3-chloro-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonate, sodium 2-[(3-chloro-4-hydroxyphenyl)-(3-chloro-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonate
| Molecular Formula | C19H11Cl2NaO5S |
|---|---|
| Molecular Weight | 443.96 g/mol |
| LogP | 1.0172 |
| Topological Polar Surface Area | 94.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 443.9602 |
| Heavy Atoms | 28 |
| Complexity | 1150.664 |
Chemical Identifiers
| CAS Number | 123333-64-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=C2C=CC(=O)C(=C2)Cl)C3=CC(=C(C=C3)O)Cl)S(=O)(=O)[O-].[Na+] |
Product Overview
sodium 2-[(3-chloro-4-hydroxyphenyl)(3-chloro-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonate (CAS 123333-64-2), with molecular formula C19H11Cl2NaO5S and molecular weight 443.96 g/mol. IUPAC: sodium 2-[(3-chloro-4-hydroxyphenyl)-(3-chloro-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonate.
Chemical Property Profile of sodium 2-[(3-chloro-4-hydroxyphenyl)(3-chloro-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonate
Property Insights of sodium 2-[(3-chloro-4-hydroxyphenyl)(3-chloro-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonate
The XLogP value of 1.0172 suggests moderate lipophilicity, balancing water solubility and membrane permeability for sodium 2-[(3-chloro-4-hydroxyphenyl)(3-chloro-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonate. The TPSA of 94.5 Ų falls within the moderate polarity range, balancing permeability and solubility for sodium 2-[(3-chloro-4-hydroxyphenyl)(3-chloro-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonate. Following Lipinski's Rule of Five, sodium 2-[(3-chloro-4-hydroxyphenyl)(3-chloro-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonate has 1 hydrogen bond donor(s) and 5 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 sodium 2-[(3-chloro-4-hydroxyphenyl)(3-chloro-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonate?
The CAS number of sodium 2-[(3-chloro-4-hydroxyphenyl)(3-chloro-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonate is 123333-64-2.
What is the molecular formula of sodium 2-[(3-chloro-4-hydroxyphenyl)(3-chloro-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonate?
The molecular formula of sodium 2-[(3-chloro-4-hydroxyphenyl)(3-chloro-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonate is C19H11Cl2NaO5S.
What is the molecular weight of sodium 2-[(3-chloro-4-hydroxyphenyl)(3-chloro-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonate?
The molecular weight of sodium 2-[(3-chloro-4-hydroxyphenyl)(3-chloro-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonate is 443.96 g/mol.
Where can I buy sodium 2-[(3-chloro-4-hydroxyphenyl)(3-chloro-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonate?
You can request a quote for sodium 2-[(3-chloro-4-hydroxyphenyl)(3-chloro-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for sodium 2-[(3-chloro-4-hydroxyphenyl)(3-chloro-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for sodium 2-[(3-chloro-4-hydroxyphenyl)(3-chloro-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.