CAS RN: 82625-45-4
4-(2-MORPHOLIN-4-YL-ETHOXY)-BENZALDEHYDE
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251010 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS82625-45-4
- Purity/Analytical Methods: >99.0%
82625-45-4 / 4-(2-morpholin-4-ylethoxy)benzaldehyde
Basic Information
CAS
82625-45-4
Multi CAS
No
Molecular Formula
C13H17NO3
Molecular Weight
235.280000
Exact Mass
235.120843
InChI
InChI=1S/C13H17NO3/c15-11-12-1-3-13(4-2-12)17-10-7-14-5-8-16-9-6-14/h1-4,11H,5-10H2
InChIKey
FGLXMUOMJOHGKH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
64.58
TPSA
38.77
LogP / Solubility
WLOGP
1.21
MLOGP
1.07
XLogP3
1
Consensus LogP
1.09
Log S (ESOL)
-1.99
Class (ESOL)
Soluble
Log S (Ali)
-2.36
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.79
Class (SILICOS-IT)
Moderately 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)
-3.3
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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