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CAS 771582-19-5 PhenylMethanaMine, 4-chloro-2,5-difluoro- molecular structure lightbox
CAS RN: 771582-19-5

PhenylMethanaMine, 4-chloro-2,5-difluoro-

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250521 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS771582-19-5
  • Purity/Analytical Methods: >99.0%
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771582-19-5 / (2-chloro-4,5-difluorophenyl)methanamine

Standard CAS: 771582-19-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
771582-19-5
Multi CAS
No
Molecular Formula
C7H6CLF2N
Molecular Weight
177.580000
Exact Mass
177.015683
InChI
InChI=1S/C7H6ClF2N/c8-5-2-7(10)6(9)1-4(5)3-11/h1-2H,3,11H2
InChIKey
HCVWEOQXADFPSJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
39.26
TPSA
26.02

LogP / Solubility

WLOGP
2.08
MLOGP
1.82
XLogP3
1.6
Consensus LogP
1.83
Log S (ESOL)
-2.59
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.52
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.66
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)
-2.33

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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