CAS RN: 866108-77-2
3-BIPHENYL-3′,5′-DIFLUORO-ACETIC ACID
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251016 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS866108-77-2
- Purity/Analytical Methods: >99.0%
866108-77-2 / 2-[3-(3,5-difluorophenyl)phenyl]acetic acid
Basic Information
CAS
866108-77-2
Multi CAS
No
Molecular Formula
C14F2H10O2
Molecular Weight
248.220000
Exact Mass
248.064886
InChI
InChI=1S/C14H10F2O2/c15-12-6-11(7-13(16)8-12)10-3-1-2-9(4-10)5-14(17)18/h1-4,6-8H,5H2,(H,17,18)
InChIKey
MELOHJJXMCEACL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
63.13
TPSA
37.3
LogP / Solubility
WLOGP
3.26
MLOGP
2.87
XLogP3
3.2
Consensus LogP
3.11
Log S (ESOL)
-3.73
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.95
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.34
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.92
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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