溴百里酚藍
TL;DR: 溴百里酚藍 (CAS 76-59-5) is a chemical compound with molecular formula C27H28Br2O5S and molecular weight 622.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
溴百里酚藍
2-bromo-4-[3-(3-bromo-4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-3-methyl-6-propan-2-ylphenol
Also Known As: Bromothymol blue, BROMTHYMOL BLUE, Dibromothymolsulfophthalein, Bromthymolblau, Blue, Bromthymol
| Molecular Formula | C27H28Br2O5S |
|---|---|
| Molecular Weight | 622.00 g/mol |
| LogP | 7.6 |
| Topological Polar Surface Area | 92.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 624.00037 |
| Heavy Atoms | 35 |
| Complexity | 818.0 |
Chemical Identifiers
| CAS Number | 76-59-5 |
|---|---|
| SMILES | CC1=C(C=C(C(=C1Br)O)C(C)C)C2(C3=CC=CC=C3S(=O)(=O)O2)C4=C(C(=C(C(=C4)C(C)C)O)Br)C |
| InChIKey | NUHCTOLBWMJMLX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
溴百里酚藍 (CAS 76-59-5), with molecular formula C27H28Br2O5S and molecular weight 622.00 g/mol. IUPAC: 2-bromo-4-[3-(3-bromo-4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-3-methyl-6-propan-2-ylphenol.
Chemical Property Profile of 溴百里酚藍
Property Insights of 溴百里酚藍
The XLogP value of 7.6 indicates that 溴百里酚藍 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 溴百里酚藍. Following Lipinski's Rule of Five, 溴百里酚藍 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 溴百里酚藍?
The CAS number of 溴百里酚藍 is 76-59-5.
What is the molecular formula of 溴百里酚藍?
The molecular formula of 溴百里酚藍 is C27H28Br2O5S.
What is the molecular weight of 溴百里酚藍?
The molecular weight of 溴百里酚藍 is 622.00 g/mol.
Where can I buy 溴百里酚藍?
You can request a quote for 溴百里酚藍 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 溴百里酚藍?
Yes, KEHONG BIO provides custom synthesis services for 溴百里酚藍 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.