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CAS 78712-43-3 Ozagrel Hydrochloride molecular structure lightbox
CAS RN: 78712-43-3

Ozagrel Hydrochloride

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9 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250819 1g In stock Inquiry
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Batchno.20260412 10mg In stock Shanghai, Wuhan Inquiry
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Batchno.20260617 50mg In stock Shanghai, Wuhan Inquiry
Batchno.20260413 5g In stock Shanghai Inquiry
  • Product code: ICTO0419
  • Purity/Analytical Methods: >98.0%(T)(HPLC)
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78712-43-3 / (E)-3-[4-(imidazol-1-ylmethyl)phenyl]prop-2-enoic acid;hydrochloride

Standard CAS: 78712-43-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
78712-43-3
Multi CAS
Yes
Molecular Formula
C13H13CLN2O2
Molecular Weight
264.710000
Exact Mass
264.066555
InChI
InChI=1S/C13H12N2O2.ClH/c16-13(17)6-5-11-1-3-12(4-2-11)9-15-8-7-14-10-15;/h1-8,10H,9H2,(H,16,17);1H/b6-5+;
InChIKey
CWKFWBJJNNPGAM-IPZCTEOASA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
11
Fraction Csp3
0.08
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
71.69
TPSA
55.12

LogP / Solubility

WLOGP
2.45
MLOGP
2.16
XLogP3
2.45
Consensus LogP
2.35
Log S (ESOL)
-3.21
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.5
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.89
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.59

Drug-likeness / Medicinal Chemistry

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

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