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CAS 5555-51-1 1-[(AMINOOXY)METHYL]-4-CHLOROBENZENE molecular structure lightbox
CAS RN: 5555-51-1

1-[(AMINOOXY)METHYL]-4-CHLOROBENZENE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250323 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS5555-51-1
  • Purity/Analytical Methods: >99.0%
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5555-51-1 / O-[(4-chlorophenyl)methyl]hydroxylamine

Standard CAS: 5555-51-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5555-51-1
Multi CAS
Yes
Molecular Formula
C7H8CLNO
Molecular Weight
157.600000
Exact Mass
157.029442
InChI
InChI=1S/C7H8ClNO/c8-7-3-1-6(2-4-7)5-10-9/h1-4H,5,9H2
InChIKey
GONDHKVGJCQJPR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
40.43
TPSA
35.25

LogP / Solubility

WLOGP
1.73
MLOGP
1.52
XLogP3
1.8
Consensus LogP
1.68
Log S (ESOL)
-2.22
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.1
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.36
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)
-2.45

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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