CAS RN: 123078-48-8
2-cyclobutyl-2-phenylacetaldehyde
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.20250217 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS123078-48-8
- Purity/Analytical Methods: >99.0%
123078-48-8 / 2-cyclobutyl-2-phenylacetaldehyde
Basic Information
CAS
123078-48-8
Multi CAS
No
Molecular Formula
C12H14O
Molecular Weight
174.240000
Exact Mass
174.104465
SMILES
C1CC(C1)C(C=O)C2=CC=CC=C2
InChI
InChI=1S/C12H14O/c13-9-12(11-7-4-8-11)10-5-2-1-3-6-10/h1-3,5-6,9,11-12H,4,7-8H2
InChIKey
HRGRELLHQVYOLA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
52.59
TPSA
17.07
LogP / Solubility
WLOGP
2.77
MLOGP
2.43
XLogP3
3
Consensus LogP
2.73
Log S (ESOL)
-2.81
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.99
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.45
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.82
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
2
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Customers Also Viewed
-
tert-butyl 2-(2-bromophenyl)acetate
- CAS RN: 123088-07-3
- Product Code: starshine_CAS123088-07-3
- Purity/Analytical method: >99.0%
-
-
-
3-(9H-Carbazol-4-yloxy)-1,2-propanediol
- CAS RN: 123119-89-1
- Product Code: starshine_CAS123119-89-1
- Purity/Analytical method: >99.0%
-
CANDOXATRIL
- CAS RN: 123122-55-4
- Product Code: starshine_CAS123122-55-4
- Purity/Analytical method: >99.0%
-
![CAS 123119-86-8 Ethanol, 2-[2-(ethylmethylamino)ethoxy]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/123119-86-8.gif)
