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CAS 3797-81-7 2,6-DICHLORO-BENZAMIDINE HCL molecular structure lightbox
CAS RN: 3797-81-7

2,6-DICHLORO-BENZAMIDINE HCL

  • Product code: SSC-145417
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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 3797-81-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

3797-81-7 / 2,6-dichlorobenzenecarboximidamide;hydrochloride

Standard CAS: 3797-81-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
3797-81-7
Multi CAS
No
Molecular Formula
C7H7CL3N2
Molecular Weight
225.500000
Exact Mass
223.967481
InChI
InChI=1S/C7H6Cl2N2.ClH/c8-4-2-1-3-5(9)6(4)7(10)11;/h1-3H,(H3,10,11);1H
InChIKey
XSQXZSIWHQCGMM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
2
Molar refractivity
54.73
TPSA
49.87

LogP / Solubility

WLOGP
2.7
MLOGP
2.38
XLogP3
2.7
Consensus LogP
2.59
Log S (ESOL)
-3.24
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.36
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.49
Class (SILICOS-IT)
Poorly 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)
-2.18

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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