4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis(3-bromo-2,5-dimethylphenol) S,S-dioxide
TL;DR: 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis(3-bromo-2,5-dimethylphenol) S,S-dioxide (CAS 40070-59-5) is a chemical compound with molecular formula C23H24Br2O5S and molecular weight 569.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-4-[(3S)-3-[(1S,4S,5R,6S)-5-bromo-4-hydroxy-3,6-dimethylcyclohex-2-en-1-yl]-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-3,6-dimethylphenol
Also Known As: Bromoxylenol blue, 1-Bromo-1,3-decadiyne, EINECS 254-780-4, 4,4'-(3H-2,1-Benzoxathiol-3-ylidene)bis(3-bromo-2,5-dimethylphenol) S,S-dioxide, Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis(3-bromo-2,5-dimethyl-, S,S-dioxide
| Molecular Formula | C23H24Br2O5S |
|---|---|
| Molecular Weight | 569.97 g/mol |
| LogP | 5.07064 |
| Topological Polar Surface Area | 83.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 569.9711 |
| Heavy Atoms | 31 |
| Complexity | 1206.6879 |
Chemical Identifiers
| CAS Number | 40070-59-5 |
|---|---|
| SMILES | C[C@H]1[C@H](C=C([C@@H]([C@@H]1Br)O)C)[C@@]2(C3=CC=CC=C3S(=O)(=O)O2)C4=C(C(=C(C(=C4)C)O)Br)C |
Product Overview
4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis(3-bromo-2,5-dimethylphenol) S,S-dioxide (CAS 40070-59-5), with molecular formula C23H24Br2O5S and molecular weight 569.97 g/mol. IUPAC: 2-bromo-4-[(3S)-3-[(1S,4S,5R,6S)-5-bromo-4-hydroxy-3,6-dimethylcyclohex-2-en-1-yl]-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-3,6-dimethylphenol.
Chemical Property Profile of 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis(3-bromo-2,5-dimethylphenol) S,S-dioxide
Property Insights of 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis(3-bromo-2,5-dimethylphenol) S,S-dioxide
The XLogP value of 5.07064 indicates that 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis(3-bromo-2,5-dimethylphenol) S,S-dioxide 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 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis(3-bromo-2,5-dimethylphenol) S,S-dioxide. Following Lipinski's Rule of Five, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis(3-bromo-2,5-dimethylphenol) S,S-dioxide 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 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis(3-bromo-2,5-dimethylphenol) S,S-dioxide?
The CAS number of 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis(3-bromo-2,5-dimethylphenol) S,S-dioxide is 40070-59-5.
What is the molecular formula of 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis(3-bromo-2,5-dimethylphenol) S,S-dioxide?
The molecular formula of 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis(3-bromo-2,5-dimethylphenol) S,S-dioxide is C23H24Br2O5S.
What is the molecular weight of 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis(3-bromo-2,5-dimethylphenol) S,S-dioxide?
The molecular weight of 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis(3-bromo-2,5-dimethylphenol) S,S-dioxide is 569.97 g/mol.
Where can I buy 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis(3-bromo-2,5-dimethylphenol) S,S-dioxide?
You can request a quote for 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis(3-bromo-2,5-dimethylphenol) S,S-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis(3-bromo-2,5-dimethylphenol) S,S-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis(3-bromo-2,5-dimethylphenol) S,S-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.