Bromocresol green, compd. with quinine
TL;DR: Bromocresol green, compd. with quinine (CAS 101392-98-7) is a chemical compound with molecular formula C41H38Br4N2O7S and molecular weight 1017.91 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-hydroxy-2-methylphenyl)-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-3-methylphenol;(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol
Also Known As: Bromocresol green, compd. with quinine, 2,6-dibromo-4-[3-(3,5-dibromo-4-hydroxy-2-methylphenyl)-1,1-dioxo-2,1, Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis(2,6-dibromo-3-methyl-, compd. with (8alpha,9R)-6'-methoxycinchonan-9-ol (1:1), 2,6-Dibromo-4-[3-(3,5-dibromo-4-hydroxy-2-methylphenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]-3-methylphenol;(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol, 3,3-Bis(3,5-dibromo-4-hydroxy-2-methylphenyl)-2,1lambda~6~-benzoxathiole-1,1(3H)-dione--6'-methoxycinchonan-9-ol (1/1)
| Molecular Formula | C41H38Br4N2O7S |
|---|---|
| Molecular Weight | 1017.91 g/mol |
| LogP | 9.94864 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 1017.9133 |
| Heavy Atoms | 55 |
| Complexity | 1200.0 |
Chemical Identifiers
| CAS Number | 101392-98-7 |
|---|---|
| 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.COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O |
| InChIKey | JLDFAFKTSZAFTO-UHFFFAOYSA-N |
Product Overview
Bromocresol green, compd. with quinine (CAS 101392-98-7), with molecular formula C41H38Br4N2O7S and molecular weight 1017.91 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;(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol.
Chemical Property Profile of Bromocresol green, compd. with quinine
Property Insights of Bromocresol green, compd. with quinine
The XLogP value of 9.94864 indicates that Bromocresol green, compd. with quinine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Bromocresol green, compd. with quinine. Following Lipinski's Rule of Five, Bromocresol green, compd. with quinine has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bromocresol green, compd. with quinine?
The CAS number of Bromocresol green, compd. with quinine is 101392-98-7.
What is the molecular formula of Bromocresol green, compd. with quinine?
The molecular formula of Bromocresol green, compd. with quinine is C41H38Br4N2O7S.
What is the molecular weight of Bromocresol green, compd. with quinine?
The molecular weight of Bromocresol green, compd. with quinine is 1017.91 g/mol.
Where can I buy Bromocresol green, compd. with quinine?
You can request a quote for Bromocresol green, compd. with quinine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bromocresol green, compd. with quinine?
Yes, KEHONG BIO provides custom synthesis services for Bromocresol green, compd. with quinine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.