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CAS 1022524-08-8 4-IODO-3-METHYLBENZHYDRAZIDE molecular structure lightbox
CAS RN: 1022524-08-8

4-IODO-3-METHYLBENZHYDRAZIDE

  • Product code: SSC-003536
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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: ≥95%
  • 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 1022524-08-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1022524-08-8 / 4-iodo-3-methylbenzohydrazide

4-iodo-3-methylbenzohydrazide | 4-IODO-3-METHYLBENZHYDRAZIDE | MFCD03425690

Standard CAS: 1022524-08-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1022524-08-8
Multi CAS
No
Molecular Formula
C8H9IN2O
Molecular Weight
276.070000
Exact Mass
275.975960
SMILES
CC1=C(C=CC(=C1)C(=O)NN)I
InChI
InChI=1S/C8H9IN2O/c1-5-4-6(8(12)11-10)2-3-7(5)9/h2-4H,10H2,1H3,(H,11,12)
InChIKey
PQGKGGQHAMDZQH-UHFFFAOYSA-N
Synonyms
4-iodo-3-methylbenzohydrazide 4-IODO-3-METHYLBENZHYDRAZIDE MFCD03425690 4-iodo-3-methyl-benzohydrazide AKOS015853764

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
55.55
TPSA
55.12

LogP / Solubility

WLOGP
1.2
MLOGP
1.07
XLogP3
1.5
Consensus LogP
1.26
Log S (ESOL)
-2.61
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.69
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.57
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.55

Drug-likeness / Medicinal Chemistry

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

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