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CAS 2641-01-2 Propyl Red molecular structure lightbox
CAS RN: 2641-01-2

Propyl Red

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Available package options are listed below.

2 package records2 with current stock
Batch No.PackageAvailabilityInquiry
Batchno.20250629 1g In stock Inquiry
Batchno.20260419 5g In stock Inquiry
  • Product code: starshine_CAS2641-01-2
  • Purity/Analytical Methods: >99.0%
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2641-01-2 / 2-[[4-(dipropylamino)phenyl]diazenyl]benzoic acid

Standard CAS: 2641-01-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2641-01-2
Multi CAS
No
Molecular Formula
C19H23N3O2
Molecular Weight
325.400000
Exact Mass
325.179027
SMILES
CCCN(CCC)C1=CC=C(C=C1)N=NC2=CC=CC=C2C(=O)O
InChI
InChI=1S/C19H23N3O2/c1-3-13-22(14-4-2)16-11-9-15(10-12-16)20-21-18-8-6-5-7-17(18)19(23)24/h5-12H,3-4,13-14H2,1-2H3,(H,23,24)
InChIKey
LIIDWKDFORMMDQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.32
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
1
Molar refractivity
96.81
TPSA
65.26

LogP / Solubility

WLOGP
5.43
MLOGP
4.79
XLogP3
5.1
Consensus LogP
5.11
Log S (ESOL)
-5.12
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.15
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.24
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
No
Log Kp (skin permeation)
-0.85

Drug-likeness / Medicinal Chemistry

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

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