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CAS 2437-39-0 2-isopropyl-5-methyl-aniline molecular structure lightbox
CAS RN: 2437-39-0

2-isopropyl-5-methyl-aniline

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260528 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-118676
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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: 1g
  • Available purity: ＞97%
  • 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 2437-39-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

2437-39-0 / 5-methyl-2-propan-2-ylaniline

Standard CAS: 2437-39-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2437-39-0
Multi CAS
No
Molecular Formula
C10H15N
Molecular Weight
149.230000
Exact Mass
149.120449
SMILES
CC1=CC(=C(C=C1)C(C)C)N
InChI
InChI=1S/C10H15N/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7H,11H2,1-3H3
InChIKey
IBDUWDDUJSWRTJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
49.68
TPSA
26.02

LogP / Solubility

WLOGP
2.7
MLOGP
2.37
XLogP3
3
Consensus LogP
2.69
Log S (ESOL)
-2.8
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.73
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.99
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)
-1.71

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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