![CAS 439691-80-2 4-[(4-METHYLPIPERAZIN-1-YL)METHYL]BENZALDEHYDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/439691-80-2.gif)
CAS RN: 439691-80-2
4-[(4-METHYLPIPERAZIN-1-YL)METHYL]BENZALDEHYDE
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.20250917 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS439691-80-2
- Purity/Analytical Methods: >99.0%
439691-80-2 / 4-[(4-methylpiperazin-1-yl)methyl]benzaldehyde
Basic Information
CAS
439691-80-2
Multi CAS
No
Molecular Formula
C13H18N2O
Molecular Weight
218.290000
Exact Mass
218.141913
InChI
InChI=1S/C13H18N2O/c1-14-6-8-15(9-7-14)10-12-2-4-13(11-16)5-3-12/h2-5,11H,6-10H2,1H3
InChIKey
DJJFKXUSAXIMLS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
64.6
TPSA
23.55
LogP / Solubility
WLOGP
1.25
MLOGP
1.1
XLogP3
1
Consensus LogP
1.12
Log S (ESOL)
-2.06
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.25
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.47
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)
-3.17
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
Customers Also Viewed
-
-
Ethyl 4-Cyclopropyl-1,3-thiazole-2-carboxylate
- CAS RN: 439692-05-4
- Product Code: SSC-152025
-
4-CHLORO-6-ISOPROPYL-THIENO[2,3-D]PYRIMIDINE
- CAS RN: 439692-52-1
- Product Code: SSC-152028
-
6-TERT-BUTYL-3H-THIENO[2,3-D]PYRIMIDIN-4-ONE
- CAS RN: 439692-54-3
- Product Code: starshine_CAS439692-54-3
- Purity/Analytical method: >99.0%
-
6-TERT-BUTYL-4-CHLOROTHIENO[2,3-D]PYRIMIDINE
- CAS RN: 439692-55-4
- Product Code: SSC-152029
-
(6-Methyl-thieno[2,3-d]pyrimidin-4-yl)-hydrazine
- CAS RN: 439692-69-0
- Product Code: starshine_CAS439692-69-0
- Purity/Analytical method: >99.0%
![CAS 439692-52-1 4-CHLORO-6-ISOPROPYL-THIENO[2,3-D]PYRIMIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB5204298.gif)
![CAS 439692-54-3 6-TERT-BUTYL-3H-THIENO[2,3-D]PYRIMIDIN-4-ONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/439692-54-3.gif)
![CAS 439692-55-4 6-TERT-BUTYL-4-CHLOROTHIENO[2,3-D]PYRIMIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB1196131.gif)
![CAS 439692-69-0 (6-Methyl-thieno[2,3-d]pyrimidin-4-yl)-hydrazine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/439692-69-0.gif)