CAS RN: 312314-37-7
2-(benzyloxy)-5-fluorobenzaldehyde
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.20250622 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS312314-37-7
- Purity/Analytical Methods: >99.0%
312314-37-7 / 5-fluoro-2-phenylmethoxybenzaldehyde
Basic Information
CAS
312314-37-7
Multi CAS
No
Molecular Formula
C14FH11O2
Molecular Weight
230.230000
Exact Mass
230.074308
InChI
InChI=1S/C14H11FO2/c15-13-6-7-14(12(8-13)9-16)17-10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKey
DGBMOFXIJPHQAW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
62.56
TPSA
26.3
LogP / Solubility
WLOGP
3.22
MLOGP
2.83
XLogP3
2.9
Consensus LogP
2.98
Log S (ESOL)
-3.55
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.77
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.31
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)
-1.84
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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- Product Code: starshine_CAS312325-71-6
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