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CAS 59748-39-9 4-(4-n-Propylphenyl)phenol molecular structure lightbox
CAS RN: 59748-39-9

4-(4-n-Propylphenyl)phenol

  • Product code: SSC-168279
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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: 1g
  • Available purity: ≥95%
  • 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 59748-39-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

59748-39-9 / 4-(4-propylphenyl)phenol

Standard CAS: 59748-39-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
59748-39-9
Multi CAS
Yes
Molecular Formula
C15H16O
Molecular Weight
212.290000
Exact Mass
212.120115
InChI
InChI=1S/C15H16O/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(16)11-9-14/h4-11,16H,2-3H2,1H3
InChIKey
OUXLUHHXKDPSOZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.2
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
67.54
TPSA
20.23

LogP / Solubility

WLOGP
4.01
MLOGP
3.53
XLogP3
4.8
Consensus LogP
4.11
Log S (ESOL)
-4.04
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.2
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.73
Class (SILICOS-IT)
Slightly soluble

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)
-1.17

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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