CAS RN: 65589-70-0
Acriflavine
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: starshine_CAS65589-70-0
- Purity/Analytical Methods: >99.0%
65589-70-0 / acridine-3,6-diamine;10-methylacridin-10-ium-3,6-diamine;chloride
Basic Information
CAS
65589-70-0
Multi CAS
No
Molecular Formula
C27H25CLN6
Molecular Weight
469.000000
Exact Mass
468.182923
InChI
InChI=1S/C14H13N3.C13H11N3.ClH/c1-17-13-7-11(15)4-2-9(13)6-10-3-5-12(16)8-14(10)17;14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10;/h2-8H,1H3,(H3,15,16);1-7H,14-15H2;1H
InChIKey
PEJLNXHANOHNSU-UHFFFAOYSA-N
Physical Properties
Physical Description
Brown to orange powder; Green fluorescence when diluted in water; [Hawley]
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
28
Fraction Csp3
0.04
H-bond acceptors
5
H-bond donors
4
Molar refractivity
139.53
TPSA
120.85
LogP / Solubility
WLOGP
1.54
MLOGP
1.39
XLogP3
1.54
Consensus LogP
1.49
Log S (ESOL)
-4.33
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.52
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-3.99
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.49
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
Customers Also Viewed
-
N,N-Dimethyl-1,4-butanediamine dihydrochloride
- CAS RN: 65592-37-2
- Product Code: SSC-175226
-
W 7
- CAS RN: 65595-90-6
- Product Code: starshine_CAS65595-90-6
- Purity/Analytical method: >99.0%
-
Pentanoic acid, 3-hydroxy-4-methyl-, methyl ester
- CAS RN: 65596-31-8
- Product Code: SSC-175227
-
Cerberinic acid methyl
- CAS RN: 65597-42-4
- Product Code: starshine_CAS65597-42-4
- Purity/Analytical method: >99.0%
-
Cyclopenta[c]pyran-4,7-dicarboxylic acid 4-methyl ester
- CAS RN: 65597-44-6
- Product Code: starshine_CAS65597-44-6
- Purity/Analytical method: >99.0%
-
![CAS 65597-44-6 Cyclopenta[c]pyran-4,7-dicarboxylic acid 4-methyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/65597-44-6.gif)
