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CAS 7134-04-5 o-Cresolsulfonic acid molecular structure lightbox
CAS RN: 7134-04-5

o-Cresolsulfonic acid

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250811 100g / 500g / 2.5kg Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: starshine_CAS7134-04-5
  • Purity/Analytical Methods: >99.0%
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7134-04-5 / 4-hydroxy-3-methylbenzenesulfonic acid

Standard CAS: 7134-04-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
7134-04-5
Multi CAS
Yes
Molecular Formula
C7H8O4S
Molecular Weight
188.200000
Exact Mass
188.014330
InChI
InChI=1S/C7H8O4S/c1-5-4-6(12(9,10)11)2-3-7(5)8/h2-4,8H,1H3,(H,9,10,11)
InChIKey
YCOXCINCKKAZMJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
42.66
TPSA
74.6

LogP / Solubility

WLOGP
0.95
MLOGP
0.83
XLogP3
0.1
Consensus LogP
0.63
Log S (ESOL)
-1.91
Class (ESOL)
Soluble
Log S (Ali)
-1.79
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.79
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.2

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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