溴甲酚綠
TL;DR: 溴甲酚綠 (CAS 76-60-8) is a chemical compound with molecular formula C21H14Br4O5S and molecular weight 693.73 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
溴甲酚綠
2,6-dibromo-4-[3-(3,5-dibromo-4-hydroxy-2-methylphenyl)-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-3-methylphenol
Also Known As: Bromocresol green, BROMCRESOL GREEN, Bromocresolgreen, bromo cresol green, Bromocresol blue
| Molecular Formula | C21H14Br4O5S |
|---|---|
| Molecular Weight | 693.73 g/mol |
| LogP | 6.5 |
| Topological Polar Surface Area | 92.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 697.72546 |
| Heavy Atoms | 31 |
| Complexity | 742.0 |
| Melting Point | 218.5 °C |
Chemical Identifiers
| CAS Number | 76-60-8 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1C2(C3=CC=CC=C3S(=O)(=O)O2)C4=CC(=C(C(=C4C)Br)O)Br)Br)O)Br |
| InChIKey | FRPHFZCDPYBUAU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
溴甲酚綠 (CAS 76-60-8), with molecular formula C21H14Br4O5S and molecular weight 693.73 g/mol. IUPAC: 2,6-dibromo-4-[3-(3,5-dibromo-4-hydroxy-2-methylphenyl)-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-3-methylphenol.
Chemical Property Profile of 溴甲酚綠
Property Insights of 溴甲酚綠
The XLogP value of 6.5 indicates that 溴甲酚綠 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 溴甲酚綠. Following Lipinski's Rule of Five, 溴甲酚綠 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 溴甲酚綠?
The CAS number of 溴甲酚綠 is 76-60-8.
What is the molecular formula of 溴甲酚綠?
The molecular formula of 溴甲酚綠 is C21H14Br4O5S.
What is the molecular weight of 溴甲酚綠?
The molecular weight of 溴甲酚綠 is 693.73 g/mol.
Where can I buy 溴甲酚綠?
You can request a quote for 溴甲酚綠 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 溴甲酚綠?
Yes, KEHONG BIO provides custom synthesis services for 溴甲酚綠 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.