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CAS 34487-61-1 Phenol Red Sodium Salt molecular structure lightbox
CAS RN: 34487-61-1

Phenol Red Sodium Salt

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11 package records11 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251221 100g In stock Shanghai Inquiry
Batchno.20250719 1kg In stock Shanghai Inquiry
Batchno.20251028 25g In stock Shanghai Inquiry
Batchno.20251122 500g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260123 100g In stock Inquiry
Batchno.20260506 1g In stock Inquiry
Batchno.20250530 25g In stock Inquiry
Batchno.20251208 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260422 100g In stock Shanghai, Shenzhen Inquiry
Batchno.20250501 25g In stock Shanghai, Chengdu Inquiry
Batchno.20251224 500g In stock Shanghai Inquiry
  • Product code: ICTP0102
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34487-61-1 / sodium 2-[(4-hydroxyphenyl)-(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonate

Standard CAS: 34487-61-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
34487-61-1
Multi CAS
Yes
Molecular Formula
C19H13NAO5S
Molecular Weight
376.400000
Exact Mass
376.038139
InChI
InChI=1S/C19H14O5S.Na/c20-15-9-5-13(6-10-15)19(14-7-11-16(21)12-8-14)17-3-1-2-4-18(17)25(22,23)24;/h1-12,20H,(H,22,23,24);/q;+1/p-1
InChIKey
RBFZWTMVVUVHLM-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
91.82
TPSA
94.5

LogP / Solubility

WLOGP
-0.2
MLOGP
-0.16
XLogP3
-0.2
Consensus LogP
-0.19
Log S (ESOL)
-2.19
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.5
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.3
Class (SILICOS-IT)
Moderately 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)
-5.16

Drug-likeness / Medicinal Chemistry

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

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