CAS RN: 79560-18-2
4-(3,4-DICHLOROPHENYL)-4-PHENYLBUTYRIC 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.20260530 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS79560-18-2
- Purity/Analytical Methods: >99.0%
79560-18-2 / 4-(3,4-dichlorophenyl)-4-phenylbutanoic acid
Basic Information
CAS
79560-18-2
Multi CAS
No
Molecular Formula
C16H14CL2O2
Molecular Weight
309.200000
Exact Mass
308.037085
InChI
InChI=1S/C16H14Cl2O2/c17-14-8-6-12(10-15(14)18)13(7-9-16(19)20)11-4-2-1-3-5-11/h1-6,8,10,13H,7,9H2,(H,19,20)
InChIKey
ZBLZQVJTLMFDCG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.19
Rotatable bonds
5
H-bond acceptors
1
H-bond donors
1
Molar refractivity
81.62
TPSA
37.3
LogP / Solubility
WLOGP
4.99
MLOGP
4.4
XLogP3
5.2
Consensus LogP
4.86
Log S (ESOL)
-5.01
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.7
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.41
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.06
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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