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CAS 886501-77-5 2,3-DIFLUORO-6-METHOXYBENZYLAMINE molecular structure lightbox
CAS RN: 886501-77-5

2,3-DIFLUORO-6-METHOXYBENZYLAMINE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260301 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS886501-77-5
  • Purity/Analytical Methods: >99.0%
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886501-77-5 / (2,3-difluoro-6-methoxyphenyl)methanamine

Standard CAS: 886501-77-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
886501-77-5
Multi CAS
No
Molecular Formula
C8F2H9NO
Molecular Weight
173.160000
Exact Mass
173.065220
InChI
InChI=1S/C8H9F2NO/c1-12-7-3-2-6(9)8(10)5(7)4-11/h2-3H,4,11H2,1H3
InChIKey
TYGWYXQDCGKHHY-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
2
H-bond donors
1
Molar refractivity
40.8
TPSA
35.25

LogP / Solubility

WLOGP
1.43
MLOGP
1.26
XLogP3
1
Consensus LogP
1.23
Log S (ESOL)
-2.05
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.01
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.21
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)
-2.76

Drug-likeness / Medicinal Chemistry

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

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