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CAS 23504-03-2 4-isopropylresorcinol molecular structure lightbox
CAS RN: 23504-03-2

4-isopropylresorcinol

  • Product code: SSC-113625
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 10g, 25g, 100g, 500g
  • Available purity: ≥98%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 23504-03-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 5 In Stock Beijing Inquiry
5g ≥98% 3 In Stock Shanghai Inquiry
10g ≥98% 3 In Stock Shanghai Inquiry
25g ≥98% 0 Out of Stock Shanghai Inquiry
100g ≥98% 0 Out of Stock Beijing Inquiry
500g ≥98% 0 Out of Stock Hong Kong Inquiry

23504-03-2 / 4-propan-2-ylbenzene-1,3-diol

Standard CAS: 23504-03-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
23504-03-2
Multi CAS
No
Molecular Formula
C9H12O2
Molecular Weight
152.190000
Exact Mass
152.083730
SMILES
CC(C)C1=C(C=C(C=C1)O)O
InChI
InChI=1S/C9H12O2/c1-6(2)8-4-3-7(10)5-9(8)11/h3-6,10-11H,1-2H3
InChIKey
LNFVQIGQENWZQN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
43.86
TPSA
40.46

LogP / Solubility

WLOGP
2.22
MLOGP
1.95
XLogP3
2.5
Consensus LogP
2.22
Log S (ESOL)
-2.52
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.41
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.61
Class (SILICOS-IT)
Moderately 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)
-2.07

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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