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CAS 60287-70-9 2-Methyl-6-Phenoxyaniline molecular structure lightbox
CAS RN: 60287-70-9

2-Methyl-6-Phenoxyaniline

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250824 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS60287-70-9
  • Purity/Analytical Methods: >99.0%
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60287-70-9 / 2-methyl-6-phenoxyaniline

Standard CAS: 60287-70-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
60287-70-9
Multi CAS
No
Molecular Formula
C13H13NO
Molecular Weight
199.250000
Exact Mass
199.099714
InChI
InChI=1S/C13H13NO/c1-10-6-5-9-12(13(10)14)15-11-7-3-2-4-8-11/h2-9H,14H2,1H3
InChIKey
UIYWSRILONNTRY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
62.11
TPSA
35.25

LogP / Solubility

WLOGP
3.37
MLOGP
2.97
XLogP3
3.1
Consensus LogP
3.15
Log S (ESOL)
-3.66
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.63
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.99
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.54

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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