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CAS 53312-78-0 3-AMINO-5-CHLORO-BENZONITRILE molecular structure lightbox
CAS RN: 53312-78-0

3-AMINO-5-CHLORO-BENZONITRILE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260108 250mg / 1g / 5g / 50g Out of stock 8-10 business days Inquiry
  • Product code: SSC-160586
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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: 0.1g, 0.25g, 1g, 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 53312-78-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 0 Out of Stock Beijing Inquiry
0.25g >95% 0 Out of Stock Beijing Inquiry
1g >95% 0 Out of Stock Shenzhen Inquiry
5g >95% 0 Out of Stock Shanghai Inquiry

53312-78-0 / 3-amino-5-chlorobenzonitrile

Standard CAS: 53312-78-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
53312-78-0
Multi CAS
Yes
Molecular Formula
C7H5CLN2
Molecular Weight
152.580000
Exact Mass
152.014126
InChI
InChI=1S/C7H5ClN2/c8-6-1-5(4-9)2-7(10)3-6/h1-3H,10H2
InChIKey
JRBVDAQXMNYPHC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
40.58
TPSA
49.81

LogP / Solubility

WLOGP
1.79
MLOGP
1.57
XLogP3
2
Consensus LogP
1.79
Log S (ESOL)
-2.36
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.11
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.14
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)
-2.38

Drug-likeness / Medicinal Chemistry

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

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