RefChem:860752
TL;DR: RefChem:860752 (CAS 67828-35-7) is a chemical compound with molecular formula C23H18Br4O5S and molecular weight 721.76 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-dibromo-4-[3-(3,5-dibromo-4-butoxyphenyl)-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]phenol
Also Known As: Bromphenol blue, monobutyl ether, Phenol, 2,6-dibromo-4-(3-(3,5-dibromo-4-butoxyphenyl)-1,1-dioxido-3H-2,1-benzoxathiol-3-yl)-, Phenol, 2,6-dibromo-4-[3-(3,5-dibromo-4-butoxyphenyl)-1,1-dioxido-3H-2,1-benzoxathiol-3-yl]-, 2,6-dibromo-4-[3-(3,5-dibromo-4-butoxyphenyl)-1,1-dioxo-2,1, 2,6-Dibromo-4-(3-(3,5-dibromo-4-butoxyphenyl)-3H-2,1-benzoxathiol-3-yl)phenol S,S-dioxide
| Molecular Formula | C23H18Br4O5S |
|---|---|
| Molecular Weight | 721.76 g/mol |
| LogP | 7.4 |
| Topological Polar Surface Area | 81.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 725.7568 |
| Heavy Atoms | 33 |
| Complexity | 755.0 |
Chemical Identifiers
| CAS Number | 67828-35-7 |
|---|---|
| SMILES | CCCCOC1=C(C=C(C=C1Br)C2(C3=CC=CC=C3S(=O)(=O)O2)C4=CC(=C(C(=C4)Br)O)Br)Br |
| InChIKey | AIITZXNAUBASPU-UHFFFAOYSA-N |
Product Overview
RefChem:860752 (CAS 67828-35-7), with molecular formula C23H18Br4O5S and molecular weight 721.76 g/mol. IUPAC: 2,6-dibromo-4-[3-(3,5-dibromo-4-butoxyphenyl)-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]phenol.
Chemical Property Profile of RefChem:860752
Property Insights of RefChem:860752
The XLogP value of 7.4 indicates that RefChem:860752 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.2 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:860752. Following Lipinski's Rule of Five, RefChem:860752 has 1 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:860752?
The CAS number of RefChem:860752 is 67828-35-7.
What is the molecular formula of RefChem:860752?
The molecular formula of RefChem:860752 is C23H18Br4O5S.
What is the molecular weight of RefChem:860752?
The molecular weight of RefChem:860752 is 721.76 g/mol.
Where can I buy RefChem:860752?
You can request a quote for RefChem:860752 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:860752?
Yes, KEHONG BIO provides custom synthesis services for RefChem:860752 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.