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CAS 499129-05-4 N”-(2-Chloroacetyl)-4-fluorobenzohydrazide molecular structure lightbox
CAS RN: 499129-05-4

N”-(2-Chloroacetyl)-4-fluorobenzohydrazide

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260218 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS499129-05-4
  • Purity/Analytical Methods: >99.0%
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499129-05-4 / N'-(2-chloroacetyl)-4-fluorobenzohydrazide

Standard CAS: 499129-05-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
499129-05-4
Multi CAS
No
Molecular Formula
C9H8CLFN2O2
Molecular Weight
230.620000
Exact Mass
230.025833
InChI
InChI=1S/C9H8ClFN2O2/c10-5-8(14)12-13-9(15)6-1-3-7(11)4-2-6/h1-4H,5H2,(H,12,14)(H,13,15)
InChIKey
DFWYATDNOKDVCU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
52.73
TPSA
58.2

LogP / Solubility

WLOGP
0.83
MLOGP
0.73
XLogP3
1.4
Consensus LogP
0.99
Log S (ESOL)
-1.95
Class (ESOL)
Soluble
Log S (Ali)
-2.05
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.08
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)
-3.54

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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