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CAS 54707-71-0 CLONIDINE RELATED COMPOUND A (25 MG) (ACET-YLCLONIDINE) molecular structure lightbox
CAS RN: 54707-71-0

CLONIDINE RELATED COMPOUND A (25 MG) (ACET-YLCLONIDINE)

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250813 25mg / 50mg / 100mg / 250mg / 500mg Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: starshine_CAS54707-71-0
  • Purity/Analytical Methods: >99.0%
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54707-71-0 / 1-[2-(2,6-dichloroanilino)-4,5-dihydroimidazol-1-yl]ethanone

Standard CAS: 54707-71-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
54707-71-0
Multi CAS
Yes
Molecular Formula
C11H11CL2N3O
Molecular Weight
272.130000
Exact Mass
271.027917
InChI
InChI=1S/C11H11Cl2N3O/c1-7(17)16-6-5-14-11(16)15-10-8(12)3-2-4-9(10)13/h2-4H,5-6H2,1H3,(H,14,15)
InChIKey
AFINVMDZLRAKEV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
69.77
TPSA
44.7

LogP / Solubility

WLOGP
2.62
MLOGP
2.32
XLogP3
2.4
Consensus LogP
2.45
Log S (ESOL)
-3.38
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.69
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.73
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.52

Drug-likeness / Medicinal Chemistry

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

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