CAS RN: 22078-90-6
(5-PHENYL-FURAN-2-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.20250318 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS22078-90-6
- Purity/Analytical Methods: >99.0%
22078-90-6 / (5-phenylfuran-2-yl)methanol
Basic Information
CAS
22078-90-6
Multi CAS
No
Molecular Formula
C11H10O2
Molecular Weight
174.200000
Exact Mass
174.068080
SMILES
C1=CC=C(C=C1)C2=CC=C(O2)CO
InChI
InChI=1S/C11H10O2/c12-8-10-6-7-11(13-10)9-4-2-1-3-5-9/h1-7,12H,8H2
InChIKey
QPESRPMGQSTWSO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
11
Fraction Csp3
0.09
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
50.07
TPSA
33.37
LogP / Solubility
WLOGP
2.44
MLOGP
2.14
XLogP3
1.8
Consensus LogP
2.13
Log S (ESOL)
-2.95
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.75
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.06
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.05
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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