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CAS 83909-69-7 N-benzyl-2-chloro-5-nitrobenzamide molecular structure lightbox
CAS RN: 83909-69-7

N-benzyl-2-chloro-5-nitrobenzamide

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250126 1g / 5g / 25g Out of stock 5-7 business days Inquiry
  • Product code: SSC-191573
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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: 5g
  • 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 83909-69-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞95% 0 Out of Stock Shenzhen Inquiry

83909-69-7 / N-benzyl-2-chloro-5-nitrobenzamide

Standard CAS: 83909-69-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
83909-69-7
Multi CAS
No
Molecular Formula
C14H11CLN2O3
Molecular Weight
290.700000
Exact Mass
290.045820
InChI
InChI=1S/C14H11ClN2O3/c15-13-7-6-11(17(19)20)8-12(13)14(18)16-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,18)
InChIKey
XHNKHLNFCWPFLM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
75.72
TPSA
72.24

LogP / Solubility

WLOGP
3.18
MLOGP
2.81
XLogP3
3.3
Consensus LogP
3.1
Log S (ESOL)
-3.82
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.24
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.67
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)
-2.24

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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