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CAS 722467-66-5 2-CHLORO-N-(3-FORMYL-PHENYL)-BENZAMIDE molecular structure lightbox
CAS RN: 722467-66-5

2-CHLORO-N-(3-FORMYL-PHENYL)-BENZAMIDE

  • Product code: SSC-181804
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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: 0.25g
  • 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 722467-66-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

722467-66-5 / 2-chloro-N-(3-formylphenyl)benzamide

Standard CAS: 722467-66-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
722467-66-5
Multi CAS
No
Molecular Formula
C14H10CLNO2
Molecular Weight
259.690000
Exact Mass
259.040006
InChI
InChI=1S/C14H10ClNO2/c15-13-7-2-1-6-12(13)14(18)16-11-5-3-4-10(8-11)9-17/h1-9H,(H,16,18)
InChIKey
GAKQNQAYVNFMJN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
71.23
TPSA
46.17

LogP / Solubility

WLOGP
3.4
MLOGP
3
XLogP3
3.2
Consensus LogP
3.2
Log S (ESOL)
-3.89
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.15
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.53
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.89

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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