CAS RN: 561-41-1
4,4′-bis(dimethylamino)-4”-(methylamino)trityl alcohol
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock1 grade group
- Product code: starshine_CAS561-41-1
- Purity/Analytical Methods: >99.0%
561-41-1 / bis[4-(dimethylamino)phenyl]-[4-(methylamino)phenyl]methanol
Basic Information
CAS
561-41-1
Multi CAS
Yes
Molecular Formula
C24H29N3O
Molecular Weight
375.500000
Exact Mass
375.231063
InChI
InChI=1S/C24H29N3O/c1-25-21-12-6-18(7-13-21)24(28,19-8-14-22(15-9-19)26(2)3)20-10-16-23(17-11-20)27(4)5/h6-17,25,28H,1-5H3
InChIKey
MAGJOSJRYKEYAZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
18
Fraction Csp3
0.25
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
2
Molar refractivity
119.63
TPSA
38.74
LogP / Solubility
WLOGP
4.14
MLOGP
3.67
XLogP3
4.4
Consensus LogP
4.07
Log S (ESOL)
-4.86
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.63
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.26
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.07
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
Gibberellin A5
- CAS RN: 561-56-8
- Product Code: starshine_CAS561-56-8
- Purity/Analytical method: >99.0%
-
19-HYDROXYCHOLESTEROL
- CAS RN: 561-63-7
- Product Code: starshine_CAS561-63-7
- Purity/Analytical method: >99.0%
-
-
(±)-Kaura-16-ene
- CAS RN: 562-28-7
- Product Code: starshine_CAS562-28-7
- Purity/Analytical method: >99.0%
-
Potassium methyl sulfate
- CAS RN: 562-54-9
- Product Code: starshine_CAS562-54-9
- Purity/Analytical method: >99.0%
-
POTASSIUM TETRACYANOPLATINATE(II)
- CAS RN: 562-76-5
- Product Code: starshine_CAS562-76-5
- Purity/Analytical method: >99.0%
