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CAS 1802661-73-9 ONO-8590580 molecular structure lightbox
CAS RN: 1802661-73-9

ONO-8590580

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260308 5mg / 10mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-080688
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1802661-73-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

1802661-73-9 / 3-(cyclopropylmethyl)-6-fluoro-7-methyl-N-[5-(1-methylimidazol-4-yl)-2-pyridinyl]benzimidazol-5-amine

Standard CAS: 1802661-73-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1802661-73-9
Multi CAS
No
Molecular Formula
C21H21FN6
Molecular Weight
376.400000
Exact Mass
376.181173
SMILES
CC1=C(C(=CC2=C1N=CN2CC3CC3)NC4=NC=C(C=C4)C5=CN(C=N5)C)F
InChI
InChI=1S/C21H21FN6/c1-13-20(22)16(7-18-21(13)25-12-28(18)9-14-3-4-14)26-19-6-5-15(8-23-19)17-10-27(2)11-24-17/h5-8,10-12,14H,3-4,9H2,1-2H3,(H,23,26)
InChIKey
INGJMHPGMVUEKY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
20
Fraction Csp3
0.29
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
1
Molar refractivity
106.87
TPSA
60.56

LogP / Solubility

WLOGP
4.43
MLOGP
3.92
XLogP3
3.1
Consensus LogP
3.82
Log S (ESOL)
-5.17
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.85
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.39
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)
-1.87

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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