[email protected]
CAS 1325-82-2 Pigment Violet 3 molecular structure lightbox
CAS RN: 1325-82-2

Pigment Violet 3

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250411 100mg In stock Shanghai Inquiry
  • Product code: starshine_CAS1325-82-2
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1325-82-2 / 4-[(4-aminophenyl)-(4-methyliminocyclohexa-2,5-dien-1-ylidene)methyl]aniline

Standard CAS: 1325-82-2 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
1325-82-2
Multi CAS
No
Molecular Formula
C20H19N3
Molecular Weight
301.400000
Exact Mass
301.157898
SMILES
CN=C1C=CC(=C(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N)C=C1
InChI
InChI=1S/C20H19N3/c1-23-19-12-6-16(7-13-19)20(14-2-8-17(21)9-3-14)15-4-10-18(22)11-5-15/h2-13H,21-22H2,1H3
InChIKey
DWDURZSYQTXVIN-UHFFFAOYSA-N

Physical Properties

Physical Description
Dry Powder; NKRA Violet paste with an odor like ammonia
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.05
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
99.37
TPSA
64.4

LogP / Solubility

WLOGP
3.85
MLOGP
3.4
XLogP3
3.4
Consensus LogP
3.55
Log S (ESOL)
-4.39
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.81
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.05
Class (SILICOS-IT)
Slightly soluble

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
No
Log Kp (skin permeation)
-1.83

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Corrosive Irritant Environmental Hazard
Signal
Danger
GHS Hazard Statements
H318 (45.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H319 (13.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H400 (58.5%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410 (58.1%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard] H412 (39.2%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P264+P265, P273, P280, P305+P351+P338, P305+P354+P338, P317, P337+P317, P391, and P501

Customers Also Viewed

Get In Touch

Contact Us