![CAS 89951-60-0 2-Methyl-[1,1′-biphenyl]-3-carbaldehyde molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/89951-60-0.gif)
CAS RN: 89951-60-0
2-Methyl-[1,1′-biphenyl]-3-carbaldehyde
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
- Product code: SSC-202170
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 5g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
89951-60-0 / 2-methyl-3-phenylbenzaldehyde
Basic Information
CAS
89951-60-0
Multi CAS
Yes
Molecular Formula
C14H12O
Molecular Weight
196.240000
Exact Mass
196.088815
InChI
InChI=1S/C14H12O/c1-11-13(10-15)8-5-9-14(11)12-6-3-2-4-7-12/h2-10H,1H3
InChIKey
IFMFMTSKMLYKOB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
62
TPSA
17.07
LogP / Solubility
WLOGP
3.47
MLOGP
3.06
XLogP3
3.4
Consensus LogP
3.31
Log S (ESOL)
-3.71
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.68
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.06
Class (SILICOS-IT)
Slightly 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)
-1.45
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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