RefChem:506465
TL;DR: RefChem:506465 (CAS 61053-97-2) is a chemical compound with molecular formula C19H6Br4Cl4O5S and molecular weight 801.54 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-dichloro-4-[4,5,6,7-tetrabromo-3-(3,5-dichloro-4-hydroxyphenyl)-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]phenol
Also Known As: EINECS 262-578-2, 4,4'-(4,5,6,7-Tetrabromo-3H-2,1-benzoxathiol-3-ylidene)bis(2,6-dichlorophenol) S,S-dioxide, 4,4'-(4,5,6,7-TETRABROMO-3H-2,1-BENZOXATHIOL-3-YLIDENE)BIS[2,6-DICHLOROPHENOL] S,S-DIOXIDE, 4,4'-(4,5,6,7-Tetrabromo-1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2,6-dichlorophenol], 2,6-dichloro-4-[4,5,6,7-tetrabromo-3-(3,5-dichloro-4-hydroxyphenyl)-1,1-dioxo-2,1
| Molecular Formula | C19H6Br4Cl4O5S |
|---|---|
| Molecular Weight | 801.54 g/mol |
| LogP | 8.7722 |
| Topological Polar Surface Area | 83.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 801.54236 |
| Heavy Atoms | 33 |
| Complexity | 1376.2256 |
Chemical Identifiers
| CAS Number | 61053-97-2 |
|---|---|
| SMILES | C1=C(C=C(C(=C1Cl)O)Cl)C2(C3=C(C(=C(C(=C3Br)Br)Br)Br)S(=O)(=O)O2)C4=CC(=C(C(=C4)Cl)O)Cl |
Product Overview
RefChem:506465 (CAS 61053-97-2), with molecular formula C19H6Br4Cl4O5S and molecular weight 801.54 g/mol. IUPAC: 2,6-dichloro-4-[4,5,6,7-tetrabromo-3-(3,5-dichloro-4-hydroxyphenyl)-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]phenol.
Chemical Property Profile of RefChem:506465
Property Insights of RefChem:506465
The XLogP value of 8.7722 indicates that RefChem:506465 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.83 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:506465. Following Lipinski's Rule of Five, RefChem:506465 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:506465?
The CAS number of RefChem:506465 is 61053-97-2.
What is the molecular formula of RefChem:506465?
The molecular formula of RefChem:506465 is C19H6Br4Cl4O5S.
What is the molecular weight of RefChem:506465?
The molecular weight of RefChem:506465 is 801.54 g/mol.
Where can I buy RefChem:506465?
You can request a quote for RefChem:506465 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:506465?
Yes, KEHONG BIO provides custom synthesis services for RefChem:506465 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.