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CAS 23554-99-6 HOE-32020 molecular structure lightbox
CAS RN: 23554-99-6

HOE-32020

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260406 100mg Out of stock Inquiry
Batchno.20251121 10mg In stock Shanghai Inquiry
Batchno.20251221 25mg In stock Shanghai Inquiry
Batchno.20250105 50mg In stock Shanghai Inquiry
Batchno.20250717 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS23554-99-6
  • Purity/Analytical Methods: >99.0%
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23554-99-6 / 2-(4-chlorophenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole

Standard CAS: 23554-99-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
23554-99-6
Multi CAS
No
Molecular Formula
C25H23ClN6
Molecular Weight
442.900000
Exact Mass
442.167273
SMILES
CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=CC5=C(C=C4)N=C(N5)C6=CC=C(C=C6)Cl
InChI
InChI=1S/C25H23ClN6/c1-31-10-12-32(13-11-31)19-7-9-21-23(15-19)30-25(28-21)17-4-8-20-22(14-17)29-24(27-20)16-2-5-18(26)6-3-16/h2-9,14-15H,10-13H2,1H3,(H,27,29)(H,28,30)
InChIKey
QXGLWDFFMBHOFL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
24
Fraction Csp3
0.2
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
131.34
TPSA
63.84

LogP / Solubility

WLOGP
5.18
MLOGP
4.59
XLogP3
4.9
Consensus LogP
4.89
Log S (ESOL)
-6.21
Class (ESOL)
Insoluble
Log S (Ali)
-6.93
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.2
Class (SILICOS-IT)
Insoluble

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)
-1.75

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

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