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CAS 381236-67-5 [(4-CHLORO-3-FLUOROPHENYL)METHYL](METHYL)AMINE molecular structure lightbox
CAS RN: 381236-67-5

[(4-CHLORO-3-FLUOROPHENYL)METHYL](METHYL)AMINE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251001 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS381236-67-5
  • Purity/Analytical Methods: >99.0%
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381236-67-5 / 1-(4-chloro-3-fluorophenyl)-N-methylmethanamine

Standard CAS: 381236-67-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
381236-67-5
Multi CAS
No
Molecular Formula
C8H9CLFN
Molecular Weight
173.610000
Exact Mass
173.040755
InChI
InChI=1S/C8H9ClFN/c1-11-5-6-2-3-7(9)8(10)4-6/h2-4,11H,5H2,1H3
InChIKey
DCICNBYWFPDIAE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
44.17
TPSA
12.03

LogP / Solubility

WLOGP
2.2
MLOGP
1.93
XLogP3
2
Consensus LogP
2.04
Log S (ESOL)
-2.57
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.57
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.85
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)
-2.22

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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