CAS RN: 773872-61-0
(3′-TRIFLUOROMETHYLBIPHENYL-3-YL)-METHANOL
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.20250424 | 100mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS773872-61-0
- Purity/Analytical Methods: >99.0%
773872-61-0 / [3-[3-(trifluoromethyl)phenyl]phenyl]methanol
Basic Information
CAS
773872-61-0
Multi CAS
Yes
Molecular Formula
C14F3H11O
Molecular Weight
252.230000
Exact Mass
252.076199
InChI
InChI=1S/C14H11F3O/c15-14(16,17)13-6-2-5-12(8-13)11-4-1-3-10(7-11)9-18/h1-8,18H,9H2
InChIKey
IROMTEIILLDKHZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
62.8
TPSA
20.23
LogP / Solubility
WLOGP
3.86
MLOGP
3.41
XLogP3
3.9
Consensus LogP
3.72
Log S (ESOL)
-4.2
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.42
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.75
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)
-1.51
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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- CAS RN: 773872-71-2
- Product Code: starshine_CAS773872-71-2
- Purity/Analytical method: >99.0%
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