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CAS 72293-68-6 (4-CHLORO-3-METHYL-PHENOXY)-ACETIC ACID HYDRAZIDE molecular structure lightbox
CAS RN: 72293-68-6

(4-CHLORO-3-METHYL-PHENOXY)-ACETIC ACID HYDRAZIDE

  • Product code: SSC-181836
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 72293-68-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

72293-68-6 / 2-(4-chloro-3-methylphenoxy)acetohydrazide

Standard CAS: 72293-68-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
72293-68-6
Multi CAS
Yes
Molecular Formula
C9H11CLN2O2
Molecular Weight
214.650000
Exact Mass
214.050905
InChI
InChI=1S/C9H11ClN2O2/c1-6-4-7(2-3-8(6)10)14-5-9(13)12-11/h2-4H,5,11H2,1H3,(H,12,13)
InChIKey
DLFJAQDMJDJPKW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
54.01
TPSA
64.35

LogP / Solubility

WLOGP
1.02
MLOGP
0.9
XLogP3
1.8
Consensus LogP
1.24
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-2.05
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.26
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)
-3.31

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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