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CAS 536-66-3 4-Isopropylbenzoic Acid molecular structure lightbox
CAS RN: 536-66-3

4-Isopropylbenzoic Acid

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260611 100g In stock Shanghai, Shandong Inquiry
Batchno.20260422 25g In stock Shanghai, Guangdong Inquiry
Batchno.20250604 500g In stock Shandong, Guangdong Inquiry
Batchno.20260117 5g In stock Guangdong, Hebei Inquiry
  • Product code: SSC-160977
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ≥98%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 536-66-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 0 Out of Stock Hong Kong Inquiry

536-66-3 / 4-propan-2-ylbenzoic acid

Standard CAS: 536-66-3 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
536-66-3
Multi CAS
Yes
Molecular Formula
C10H12O2
Molecular Weight
164.200000
Exact Mass
164.083730
InChI
InChI=1S/C10H12O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h3-7H,1-2H3,(H,11,12)
InChIKey
CKMXAIVXVKGGFM-UHFFFAOYSA-N

Physical Properties

Melting Point
117 - 118 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
47.49
TPSA
37.3

LogP / Solubility

WLOGP
2.51
MLOGP
2.2
XLogP3
3.4
Consensus LogP
2.7
Log S (ESOL)
-2.68
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.72
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.05
Class (SILICOS-IT)
Poorly 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)
-1.94

Drug-likeness / Medicinal Chemistry

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

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