CAS RN: 88038-94-2
4-(4-Propylphenyl)benzoic Acid
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250901 | 5g / 25g / 100g | Out of stock | 8-10 business days | Inquiry |
- Product code: ICTP1037
- Purity/Analytical Methods: >98.0%(GC)(T)
88038-94-2 / 4-(4-propylphenyl)benzoic acid
Basic Information
CAS
88038-94-2
Multi CAS
Yes
Molecular Formula
C16H16O2
Molecular Weight
240.300000
Exact Mass
240.115030
InChI
InChI=1S/C16H16O2/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(11-9-14)16(17)18/h4-11H,2-3H2,1H3,(H,17,18)
InChIKey
HCPBURTZSXRGBN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.19
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
72.83
TPSA
37.3
LogP / Solubility
WLOGP
4
MLOGP
3.53
XLogP3
5
Consensus LogP
4.18
Log S (ESOL)
-4.08
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.42
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.03
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)
-1.34
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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