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CAS 2100284-59-9 (S)-2-(6-bromobenzo[d][1,3]dioxol-5-yl)-N-(4-cyanophenyl)-1-(1-cyclohexylethyl)-1H-benzo[d]imidazole-5-carboxamide molecular structure lightbox
CAS RN: 2100284-59-9

(S)-2-(6-bromobenzo[d][1,3]dioxol-5-yl)-N-(4-cyanophenyl)-1-(1-cyclohexylethyl)-1H-benzo[d]imidazole-5-carboxamide

Product Availability

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7 package records5 with current stock3 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251119 5mg / 10mg / 50mg Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250903 100mg Out of stock Inquiry
Batchno.20250408 10mg In stock Inquiry
Batchno.20251023 25mg In stock Inquiry
Batchno.20260105 50mg In stock Inquiry
Batchno.20250618 5mg In stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250309 1ml In stock Inquiry
  • Product code: SSC-099866
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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: 0.1g
  • 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 2100284-59-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Beijing Inquiry

2100284-59-9 / 2-(6-bromo-1,3-benzodioxol-5-yl)-N-(4-cyanophenyl)-1-[(1S)-1-cyclohexylethyl]benzimidazole-5-carboxamide

Standard CAS: 2100284-59-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2100284-59-9
Multi CAS
No
Molecular Formula
C30H27BrN4O3
Molecular Weight
571.500000
Exact Mass
570.126650
SMILES
C[C@@H](C1CCCCC1)N2C3=C(C=C(C=C3)C(=O)NC4=CC=C(C=C4)C#N)N=C2C5=CC6=C(C=C5Br)OCO6
InChI
InChI=1S/C30H27BrN4O3/c1-18(20-5-3-2-4-6-20)35-26-12-9-21(30(36)33-22-10-7-19(16-32)8-11-22)13-25(26)34-29(35)23-14-27-28(15-24(23)31)38-17-37-27/h7-15,18,20H,2-6,17H2,1H3,(H,33,36)/t18-/m0/s1
InChIKey
FJAOGFGHTPYADT-SFHVURJKSA-N

Computed Properties

Structural Parameters

Heavy atom count
38
Aromatic heavy atom count
21
Fraction Csp3
0.3
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
1
Molar refractivity
149.39
TPSA
89.17

LogP / Solubility

WLOGP
7.46
MLOGP
6.61
XLogP3
6.9
Consensus LogP
6.99
Log S (ESOL)
-8.16
Class (ESOL)
Insoluble
Log S (Ali)
-9.63
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.17
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.91

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
6

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