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CAS 569-61-9 Pararosaniline Hydrochloride [for Biochemical Research] molecular structure lightbox
CAS RN: 569-61-9

Pararosaniline Hydrochloride [for Biochemical Research]

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityInquiry
Batchno.20260325 100mg In stock Inquiry
Batchno.20260121 25mg In stock Inquiry
Batch No.PackageAvailabilityInquiry
Batchno.20250514 100g Out of stock Inquiry
Batchno.20260116 25g In stock Inquiry
  • Product code: SSC-164937
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 100g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 569-61-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥95% 0 Out of Stock Shanghai Inquiry

569-61-9 / 4-[(4-aminophenyl)-(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]aniline;hydrochloride

Standard CAS: 569-61-9 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
569-61-9
Multi CAS
Yes
Molecular Formula
C19H18CLN3
Molecular Weight
323.800000
Exact Mass
323.118925
InChI
InChI=1S/C19H17N3.ClH/c20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15;/h1-12,20H,21-22H2;1H
InChIKey
JUQPZRLQQYSMEQ-UHFFFAOYSA-N

Physical Properties

Melting Point
514 to 518 °F (decomposes) (NTP, 1992) 268-270 °C (decomposes)
Physical Description
Pararosaniline hydrochloride appears as colorless to red crystals or green powder. (NTP, 1992) Red or green solid; [CAMEO]
Appearance
COLORLESS TO RED CRYSTALS Dark-green crystalline powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
3
Molar refractivity
100.99
TPSA
75.89

LogP / Solubility

WLOGP
4.22
MLOGP
3.73
XLogP3
4.22
Consensus LogP
4.06
Log S (ESOL)
-4.76
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.26
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.51
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)
-1.7

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

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