CAS RN: 40252-74-2
DMEOB
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.20250515 | 10mg / 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS40252-74-2
- Purity/Analytical Methods: >99.0%
40252-74-2 / 1-(3-methoxyphenyl)-N-[(3-methoxyphenyl)methylideneamino]methanimine
Basic Information
CAS
40252-74-2
Multi CAS
Yes
Molecular Formula
C16H16N2O2
Molecular Weight
268.310000
Exact Mass
268.121178
InChI
InChI=1S/C16H16N2O2/c1-19-15-7-3-5-13(9-15)11-17-18-12-14-6-4-8-16(10-14)20-2/h3-12H,1-2H3/b17-11+,18-12+
InChIKey
FBNPHFBYHYNMHC-JYFOCSDGSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.12
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
81.18
TPSA
43.18
LogP / Solubility
WLOGP
3.16
MLOGP
2.79
XLogP3
3.2
Consensus LogP
3.05
Log S (ESOL)
-3.61
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.04
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.62
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
ETHYL 5-METHYL-2H-1,2,4-TRIAZOLE-3-CARBOXYLATE
- CAS RN: 40253-47-2
- Product Code: SSC-148332
-
3-[4-(4-FLUORO-PHENYL)-PIPERAZIN-1-YL]-PROPYLAMINE
- CAS RN: 40255-43-4
- Product Code: SSC-148333
-
-
-
Benzoic acid, 3-amino-5-chloro-4-hydroxy-, methyl ester
- CAS RN: 40258-68-2
- Product Code: SSC-148340
![CAS 40255-43-4 3-[4-(4-FLUORO-PHENYL)-PIPERAZIN-1-YL]-PROPYLAMINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB2233673.gif)
