C22H8Br4Cl4O6.Na
TL;DR: C22H8Br4Cl4O6.Na (CAS 63555-33-9) is a chemical compound with molecular formula C22H8Br4Cl4O6 and molecular weight 823.58 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxyethyl 2,3,4,5-tetrachloro-6-(2,4,5,7-tetrabromo-3-hydroxy-6-oxoxanthen-9-yl)benzoate
Also Known As: 2-hydroxyethyl 2,3,4,5-tetrachloro-6-(2,4,5,7-tetrabromo-3-hydroxy-6-oxo-xanthen-9-yl)benzoate, 2-hydroxyethyl 2,3,4,5-tetrachloro-6-(2,4,5,7-tetrabromo-3-hydroxy-6-oxoxanthen-9-yl)benzoate, Benzoic acid, 2,3,4,5-tetrachloro-6-(2,4,5,7-tetrabromo-6-hydroxy-3-oxo-3H-xanthen-9-yl)-, 2-hydroxyethyl ester, Benzoic acid, 2,3,4,5-tetrachloro-6-(2,4,5,7-tetrabromo-6-hydroxy-3-oxo-3H-xanthen-9-yl)-, 2-hydroxyethyl ester, monosodium salt
| Molecular Formula | C22H8Br4Cl4O6 |
|---|---|
| Molecular Weight | 823.58 g/mol |
| LogP | 7.8 |
| Topological Polar Surface Area | 93.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 823.5809 |
| Heavy Atoms | 36 |
| Complexity | 1040.0 |
Chemical Identifiers
| CAS Number | 63555-33-9 |
|---|---|
| SMILES | C1=C2C(=C3C=C(C(=O)C(=C3OC2=C(C(=C1Br)O)Br)Br)Br)C4=C(C(=C(C(=C4Cl)Cl)Cl)Cl)C(=O)OCCO |
| InChIKey | KUHVZDQKIDOSRJ-UHFFFAOYSA-N |
Product Overview
C22H8Br4Cl4O6.Na (CAS 63555-33-9), with molecular formula C22H8Br4Cl4O6 and molecular weight 823.58 g/mol. IUPAC: 2-hydroxyethyl 2,3,4,5-tetrachloro-6-(2,4,5,7-tetrabromo-3-hydroxy-6-oxoxanthen-9-yl)benzoate.
Chemical Property Profile of C22H8Br4Cl4O6.Na
Property Insights of C22H8Br4Cl4O6.Na
The XLogP value of 7.8 indicates that C22H8Br4Cl4O6.Na is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for C22H8Br4Cl4O6.Na. Following Lipinski's Rule of Five, C22H8Br4Cl4O6.Na has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C22H8Br4Cl4O6.Na?
The CAS number of C22H8Br4Cl4O6.Na is 63555-33-9.
What is the molecular formula of C22H8Br4Cl4O6.Na?
The molecular formula of C22H8Br4Cl4O6.Na is C22H8Br4Cl4O6.
What is the molecular weight of C22H8Br4Cl4O6.Na?
The molecular weight of C22H8Br4Cl4O6.Na is 823.58 g/mol.
Where can I buy C22H8Br4Cl4O6.Na?
You can request a quote for C22H8Br4Cl4O6.Na directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C22H8Br4Cl4O6.Na?
Yes, KEHONG BIO provides custom synthesis services for C22H8Br4Cl4O6.Na and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.