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CAS 1740-97-2 4-isopropyl-m-cresol molecular structure lightbox
CAS RN: 1740-97-2

4-isopropyl-m-cresol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260214 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1740-97-2
  • Purity/Analytical Methods: >99.0%
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1740-97-2 / 2-methyl-4-propan-2-ylphenol

Standard CAS: 1740-97-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1740-97-2
Multi CAS
No
Molecular Formula
C10H14O
Molecular Weight
150.220000
Exact Mass
150.104465
SMILES
CC1=C(C=CC(=C1)C(C)C)O
InChI
InChI=1S/C10H14O/c1-7(2)9-4-5-10(11)8(3)6-9/h4-7,11H,1-3H3
InChIKey
WYXXLXHHWYNKJF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
46.93
TPSA
20.23

LogP / Solubility

WLOGP
2.82
MLOGP
2.48
XLogP3
3.1
Consensus LogP
2.8
Log S (ESOL)
-2.89
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.83
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.1
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)
-1.63

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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