CAS RN: 1261982-07-3
4-(4-Benzyloxyphenyl)-3-fluorophenol
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.20260628 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1261982-07-3
- Purity/Analytical Methods: >99.0%
1261982-07-3 / 3-fluoro-4-(4-phenylmethoxyphenyl)phenol
Basic Information
CAS
1261982-07-3
Multi CAS
No
Molecular Formula
C19H15FO2
Molecular Weight
294.300000
Exact Mass
294.105608
SMILES
C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=C(C=C(C=C3)O)F
InChI
InChI=1S/C19H15FO2/c20-19-12-16(21)8-11-18(19)15-6-9-17(10-7-15)22-13-14-4-2-1-3-5-14/h1-12,21H,13H2
InChIKey
MGXSUZPIPHJTCG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
18
Fraction Csp3
0.05
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
84.27
TPSA
29.46
LogP / Solubility
WLOGP
4.78
MLOGP
4.22
XLogP3
4.8
Consensus LogP
4.6
Log S (ESOL)
-5.02
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.42
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.02
Class (SILICOS-IT)
Insoluble
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)
-1.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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