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CAS 133088-44-5 2-Chloro-5-methoxy-4-methyl-phenylamine molecular structure lightbox
CAS RN: 133088-44-5

2-Chloro-5-methoxy-4-methyl-phenylamine

  • Product code: SSC-039783
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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: 0.1g, 0.25g
  • 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 133088-44-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Beijing Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

133088-44-5 / 2-chloro-5-methoxy-4-methylaniline

Standard CAS: 133088-44-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
133088-44-5
Multi CAS
No
Molecular Formula
C8H10ClNO
Molecular Weight
171.620000
Exact Mass
171.045092
SMILES
CC1=CC(=C(C=C1OC)N)Cl
InChI
InChI=1S/C8H10ClNO/c1-5-3-6(9)7(10)4-8(5)11-2/h3-4H,10H2,1-2H3
InChIKey
KBJTUEYTPBMKAM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
47.15
TPSA
35.25

LogP / Solubility

WLOGP
2.24
MLOGP
1.97
XLogP3
2.2
Consensus LogP
2.14
Log S (ESOL)
-2.65
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.58
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.75
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)
-2.18

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

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