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CAS 45743-05-3 2-CHLORO-BENZAMIDINE molecular structure lightbox
CAS RN: 45743-05-3

2-CHLORO-BENZAMIDINE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260308 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: starshine_CAS45743-05-3
  • Purity/Analytical Methods: >99.0%
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45743-05-3 / 2-chlorobenzenecarboximidamide

Standard CAS: 45743-05-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
45743-05-3
Multi CAS
Yes
Molecular Formula
C7H7CLN2
Molecular Weight
154.600000
Exact Mass
154.029776
InChI
InChI=1S/C7H7ClN2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H3,9,10)
InChIKey
MXVMRHIWTSFDPU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
2
Molar refractivity
42.47
TPSA
49.87

LogP / Solubility

WLOGP
1.62
MLOGP
1.42
XLogP3
0.7
Consensus LogP
1.25
Log S (ESOL)
-2.2
Class (ESOL)
Moderately soluble
Log S (Ali)
-2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.13
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)
-2.51

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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