CAS RN: 142602-43-5
2-(Benzyloxy)-4-broMobenzaldehyde
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.20260326 | 1g / 5g | Out of stock | 3-5 business days | Inquiry |
- Product code: starshine_CAS142602-43-5
- Purity/Analytical Methods: >99.0%
142602-43-5 / 4-bromo-2-phenylmethoxybenzaldehyde
Basic Information
CAS
142602-43-5
Multi CAS
No
Molecular Formula
C14H11BrO2
Molecular Weight
291.140000
Exact Mass
289.994240
SMILES
C1=CC=C(C=C1)COC2=C(C=CC(=C2)Br)C=O
InChI
InChI=1S/C14H11BrO2/c15-13-7-6-12(9-16)14(8-13)17-10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKey
MTCCBXXJEDZGIW-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
70.3
TPSA
26.3
LogP / Solubility
WLOGP
3.84
MLOGP
3.39
XLogP3
3.5
Consensus LogP
3.58
Log S (ESOL)
-4.32
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.72
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.22
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)
-1.77
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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