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CAS 25711-53-9 4-(4-propylphenyl)butanoic acid molecular structure lightbox
CAS RN: 25711-53-9

4-(4-propylphenyl)butanoic acid

  • Product code: SSC-122174
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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: 0.1g, 0.25g, 1g, 5g, 10g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • 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 25711-53-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Shanghai Inquiry
0.25g >95% 1 In Stock Beijing Inquiry
1g >95% 1 In Stock Shanghai Inquiry
5g >95% 1 In Stock Shenzhen Inquiry
10g >95% 0 Out of Stock Shenzhen Inquiry

25711-53-9 / 4-(4-propylphenyl)butanoic acid

Standard CAS: 25711-53-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
25711-53-9
Multi CAS
No
Molecular Formula
C13H18O2
Molecular Weight
206.280000
Exact Mass
206.130680
SMILES
CCCC1=CC=C(C=C1)CCCC(=O)O
InChI
InChI=1S/C13H18O2/c1-2-4-11-7-9-12(10-8-11)5-3-6-13(14)15/h7-10H,2-6H2,1H3,(H,14,15)
InChIKey
HZWVRQFQUNIIBG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
6
H-bond acceptors
1
H-bond donors
1
Molar refractivity
61.01
TPSA
37.3

LogP / Solubility

WLOGP
3.05
MLOGP
2.68
XLogP3
3.8
Consensus LogP
3.18
Log S (ESOL)
-2.94
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.45
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.25
Class (SILICOS-IT)
Slightly 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)
-1.82

Drug-likeness / Medicinal Chemistry

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

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