![CAS 34725-61-6 Bromophenol Blue Sodium Salt [for Electrophoresis] molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b3195-jpgcontextbwfzdgvyfhjvb3r8nda3nzd8aw1hz2uvanblz3xonzmvadbllzg5mjg5mjaynzi5mjyvqjmxotuuanbnfgywotlhodqxngexmjk1ztywmjk4ogexogrhmjuzndi4njzlmzi0mta1ndi4ogvmyjcyote3mgfjymjlmtq4y2i.jpeg)
CAS RN: 34725-61-6
Bromophenol Blue Sodium Salt [for Electrophoresis]
Product Availability
Choose a grade to view its available package options.
15 package records15 with current stock5 grade groups
- Product code: ICTB3195
34725-61-6 / sodium 2-[(3,5-dibromo-4-hydroxyphenyl)-(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonate
Basic Information
CAS
34725-61-6
Multi CAS
Yes
Molecular Formula
C19H9BR4NAO5S
Molecular Weight
691.900000
Exact Mass
691.676090
InChI
InChI=1S/C19H10Br4O5S.Na/c20-12-5-9(6-13(21)18(12)24)17(10-7-14(22)19(25)15(23)8-10)11-3-1-2-4-16(11)29(26,27)28;/h1-8,24H,(H,26,27,28);/q;+1/p-1
InChIKey
TWKDJMRHSLWRFI-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
122.96
TPSA
94.5
LogP / Solubility
WLOGP
2.77
MLOGP
2.49
XLogP3
2.77
Consensus LogP
2.68
Log S (ESOL)
-5.97
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.23
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.81
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-4.98
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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