CAS RN: 400747-55-9
4′-HYDROXY-BIPHENYL-2-CARBALDEHYDE
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.20260407 | 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS400747-55-9
- Purity/Analytical Methods: >99.0%
400747-55-9 / 2-(4-hydroxyphenyl)benzaldehyde
Basic Information
CAS
400747-55-9
Multi CAS
No
Molecular Formula
C13H10O2
Molecular Weight
198.220000
Exact Mass
198.068080
InChI
InChI=1S/C13H10O2/c14-9-11-3-1-2-4-13(11)10-5-7-12(15)8-6-10/h1-9,15H
InChIKey
PGLQTCNSJOJTIV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
58.93
TPSA
37.3
LogP / Solubility
WLOGP
2.87
MLOGP
2.53
XLogP3
3
Consensus LogP
2.8
Log S (ESOL)
-3.34
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.26
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.57
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)
-1.89
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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