[email protected]
CAS 62625-30-3 Bromocresol Purple Sodium Salt molecular structure lightbox
CAS RN: 62625-30-3

Bromocresol Purple Sodium Salt

Product Availability

Choose a grade to view its available package options.

5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260527 100g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260325 1kg Out of stock Inquiry
Batchno.20250910 25g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20260311 500g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260506 10g / 50g / 250g Confirm by inquiry Shanghai, Shandong, Chongqing, Hebei Inquiry
  • Product code: ICTS0042
GET A QUOTE

62625-30-3 / sodium 2-[(3-bromo-4-hydroxy-5-methylphenyl)-(3-bromo-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonate

Standard CAS: 62625-30-3 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
62625-30-3
Multi CAS
Yes
Molecular Formula
C21H15BR2NAO5S
Molecular Weight
562.200000
Exact Mass
561.888410
InChI
InChI=1S/C21H16Br2O5S.Na/c1-11-7-13(9-16(22)20(11)24)19(14-8-12(2)21(25)17(23)10-14)15-5-3-4-6-18(15)29(26,27)28;/h3-10,24H,1-2H3,(H,26,27,28);/q;+1/p-1
InChIKey
KVSJYIXUWNOWBD-UHFFFAOYSA-M

Physical Properties

Physical Description
Dark brown powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
12
Fraction Csp3
0.1
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
116.74
TPSA
94.5

LogP / Solubility

WLOGP
1.98
MLOGP
1.79
XLogP3
1.98
Consensus LogP
1.92
Log S (ESOL)
-4.67
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.6
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.32
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.74

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Customers Also Viewed

Get In Touch

Contact Us