CAS RN: 4757-55-5
Dimetacrine
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.20260405 | 1mg / 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS4757-55-5
- Purity/Analytical Methods: >99.0%
4757-55-5 / 3-(9,9-dimethylacridin-10-yl)-N,N-dimethylpropan-1-amine
Basic Information
CAS
4757-55-5
Multi CAS
No
Molecular Formula
C20H26N2
Molecular Weight
294.400000
Exact Mass
294.209599
InChI
InChI=1S/C20H26N2/c1-20(2)16-10-5-7-12-18(16)22(15-9-14-21(3)4)19-13-8-6-11-17(19)20/h5-8,10-13H,9,14-15H2,1-4H3
InChIKey
RYQOGSFEJBUZBX-UHFFFAOYSA-N
Physical Properties
Melting Point
155-156
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.4
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
95.19
TPSA
6.48
LogP / Solubility
WLOGP
4.42
MLOGP
3.9
XLogP3
5.4
Consensus LogP
4.57
Log S (ESOL)
-4.59
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.16
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.72
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.38
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
DIHYDROATISINE HCl
- CAS RN: 4758-99-0
- Product Code: starshine_CAS4758-99-0
- Purity/Analytical method: >99.0%
-
-
-
-
-
