CAS RN: 64261-07-0
ETHYL 4-(4-(DIMETHYLAMINO)BENZYLAMINO)BENZOATE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250317 | 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS64261-07-0
- Purity/Analytical Methods: >99.0%
64261-07-0 / ethyl 4-[[4-(dimethylamino)phenyl]methylamino]benzoate
Basic Information
CAS
64261-07-0
Multi CAS
No
Molecular Formula
C18H22N2O2
Molecular Weight
298.400000
Exact Mass
298.168128
InChI
InChI=1S/C18H22N2O2/c1-4-22-18(21)15-7-9-16(10-8-15)19-13-14-5-11-17(12-6-14)20(2)3/h5-12,19H,4,13H2,1-3H3
InChIKey
PFRXJEDCOMKDBZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.28
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
1
Molar refractivity
90.49
TPSA
41.57
LogP / Solubility
WLOGP
3.54
MLOGP
3.13
XLogP3
3.7
Consensus LogP
3.46
Log S (ESOL)
-3.93
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.56
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.26
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)
-2.03
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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