SK3NX9AZ2J
TL;DR: SK3NX9AZ2J (CAS 28818-24-8) is a chemical compound with molecular formula C23H16Br4O4 and molecular weight 671.78 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-[(3,5-dibromo-4-hydroxyphenyl)-(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzoate
Also Known As: isopropyl2-[ methyl]benzoate, Tetrabromophenolphthalein isopropyl ester, Isopropyl 2-((3,5-dibromo-4-hydroxyphenyl)(3,5-dibromo-4-oxo-2,5-cyclohexadien-1-ylidene)methyl)benzoate, propan-2-yl 2-[(3,5-dibromo-4-hydroxyphenyl)-(3,5-dibromo-4-, propan-2-yl 2-[(3,5-dibromo-4-hydroxyphenyl)(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzoate
| Molecular Formula | C23H16Br4O4 |
|---|---|
| Molecular Weight | 671.78 g/mol |
| LogP | 8.1 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 675.7741 |
| Heavy Atoms | 31 |
| Complexity | 780.0 |
Chemical Identifiers
| CAS Number | 28818-24-8 |
|---|---|
| SMILES | CC(C)OC(=O)C1=CC=CC=C1C(=C2C=C(C(=O)C(=C2)Br)Br)C3=CC(=C(C(=C3)Br)O)Br |
| InChIKey | LLJOTVJDOVGQAD-UHFFFAOYSA-N |
Product Overview
SK3NX9AZ2J (CAS 28818-24-8), with molecular formula C23H16Br4O4 and molecular weight 671.78 g/mol. IUPAC: propan-2-yl 2-[(3,5-dibromo-4-hydroxyphenyl)-(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzoate.
Chemical Property Profile of SK3NX9AZ2J
Property Insights of SK3NX9AZ2J
The XLogP value of 8.1 indicates that SK3NX9AZ2J is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for SK3NX9AZ2J. Following Lipinski's Rule of Five, SK3NX9AZ2J has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of SK3NX9AZ2J?
The CAS number of SK3NX9AZ2J is 28818-24-8.
What is the molecular formula of SK3NX9AZ2J?
The molecular formula of SK3NX9AZ2J is C23H16Br4O4.
What is the molecular weight of SK3NX9AZ2J?
The molecular weight of SK3NX9AZ2J is 671.78 g/mol.
Where can I buy SK3NX9AZ2J?
You can request a quote for SK3NX9AZ2J directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for SK3NX9AZ2J?
Yes, KEHONG BIO provides custom synthesis services for SK3NX9AZ2J and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.