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CAS 96861-30-2 2-[4-(4-pentylphenyl)phenyl]ethanol molecular structure lightbox
CAS RN: 96861-30-2

2-[4-(4-pentylphenyl)phenyl]ethanol

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250423 25mg / 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS96861-30-2
  • Purity/Analytical Methods: >99.0%
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96861-30-2 / 2-[4-(4-pentylphenyl)phenyl]ethanol

Standard CAS: 96861-30-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
96861-30-2
Multi CAS
No
Molecular Formula
C19H24O
Molecular Weight
268.400000
Exact Mass
268.182715
InChI
InChI=1S/C19H24O/c1-2-3-4-5-16-6-10-18(11-7-16)19-12-8-17(9-13-19)14-15-20/h6-13,20H,2-5,14-15H2,1H3
InChIKey
WZHPUWASUAIUGJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.37
Rotatable bonds
7
H-bond acceptors
1
H-bond donors
1
Molar refractivity
85.9
TPSA
20.23

LogP / Solubility

WLOGP
4.62
MLOGP
4.07
XLogP3
5.5
Consensus LogP
4.73
Log S (ESOL)
-4.4
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.1
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.08
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.08

Drug-likeness / Medicinal Chemistry

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

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