CAS RN: 67952-38-9

4-(p-methoxyphenyl)butan-2-ol

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Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260204 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai, Shandong 5-7 business days Inquiry
  • Product code: starshine_CAS67952-38-9
  • Purity/Analytical Methods: >99.0%
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67952-38-9 / 4-(4-methoxyphenyl)butan-2-ol

Standard CAS: 67952-38-9 Multi CAS: Yes

Basic Information

CAS
67952-38-9
Multi CAS
Yes
Molecular Formula
C11H16O2
Molecular Weight
180.240000
Exact Mass
180.115030
InChI
InChI=1S/C11H16O2/c1-9(12)3-4-10-5-7-11(13-2)8-6-10/h5-9,12H,3-4H2,1-2H3
InChIKey
UOACSUDCGMMDFW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
53
TPSA
29.46

LogP / Solubility

WLOGP
2.01
MLOGP
1.77
XLogP3
2.3
Consensus LogP
2.03
Log S (ESOL)
-2.3
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.49
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.98
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)
-2.39

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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