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CAS 77469-98-8 PiMobendan (hydrochloride) molecular structure lightbox
CAS RN: 77469-98-8

PiMobendan (hydrochloride)

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260102 5mg / 10mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS77469-98-8
  • Purity/Analytical Methods: >99.0%
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77469-98-8 / 3-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one;hydrochloride

Standard CAS: 77469-98-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
77469-98-8
Multi CAS
Yes
Molecular Formula
C19H19CLN4O2
Molecular Weight
370.800000
Exact Mass
370.119654
InChI
InChI=1S/C19H18N4O2.ClH/c1-11-9-17(24)22-23-18(11)13-5-8-15-16(10-13)21-19(20-15)12-3-6-14(25-2)7-4-12;/h3-8,10-11H,9H2,1-2H3,(H,20,21)(H,22,24);1H
InChIKey
OJLOGBZTFKPHDQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
15
Fraction Csp3
0.21
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
103.79
TPSA
79.37

LogP / Solubility

WLOGP
3.52
MLOGP
3.12
XLogP3
3.52
Consensus LogP
3.39
Log S (ESOL)
-4.59
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.14
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.35
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.48

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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