[email protected]
CAS 97-50-7 5-Chloro-2,4-dimethoxyaniline molecular structure lightbox
CAS RN: 97-50-7

5-Chloro-2,4-dimethoxyaniline

Product Availability

Choose a grade to view its available package options.

4 package records2 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250117 100g Out of stock Inquiry
Batchno.20251208 1g In stock Inquiry
Batchno.20260405 500g Out of stock Inquiry
Batchno.20250702 5g In stock Inquiry
  • Product code: ICTC1226
  • Purity/Analytical Methods: >97.0%(GC)(T)
GET A QUOTE

97-50-7 / 5-chloro-2,4-dimethoxyaniline

Standard CAS: 97-50-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
97-50-7
Multi CAS
Yes
Molecular Formula
C8H10CLNO2
Molecular Weight
187.620000
Exact Mass
187.040006
InChI
InChI=1S/C8H10ClNO2/c1-11-7-4-8(12-2)6(10)3-5(7)9/h3-4H,10H2,1-2H3
InChIKey
OLCMNCWEUMBNIS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
48.97
TPSA
44.48

LogP / Solubility

WLOGP
1.94
MLOGP
1.71
XLogP3
1.8
Consensus LogP
1.82
Log S (ESOL)
-2.46
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.5
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.73
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.49

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us