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CAS 2006277-84-3 N,N-Dioctylbenzimidazole-5-carboxamide molecular structure lightbox
CAS RN: 2006277-84-3

N,N-Dioctylbenzimidazole-5-carboxamide

  • Product code: SSC-094530
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 6
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 2006277-84-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 5 In Stock Shenzhen Inquiry
0.1g ≥95% 5 In Stock Beijing Inquiry
0.25g -- 5 In Stock Shenzhen Inquiry
0.25g ≥95% 5 In Stock Shenzhen Inquiry
1g -- 5 In Stock Beijing Inquiry
1g ≥95% 5 In Stock Shanghai Inquiry

2006277-84-3 / N,N-dioctyl-3H-benzimidazole-5-carboxamide

Standard CAS: 2006277-84-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2006277-84-3
Multi CAS
No
Molecular Formula
C24H39N3O
Molecular Weight
385.600000
Exact Mass
385.309313
SMILES
CCCCCCCCN(CCCCCCCC)C(=O)C1=CC2=C(C=C1)N=CN2
InChI
InChI=1S/C24H39N3O/c1-3-5-7-9-11-13-17-27(18-14-12-10-8-6-4-2)24(28)21-15-16-22-23(19-21)26-20-25-22/h15-16,19-20H,3-14,17-18H2,1-2H3,(H,25,26)
InChIKey
KORQOBKWZVKGIB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
9
Fraction Csp3
0.67
Rotatable bonds
15
H-bond acceptors
2
H-bond donors
1
Molar refractivity
118.75
TPSA
48.99

LogP / Solubility

WLOGP
6.73
MLOGP
5.94
XLogP3
8.1
Consensus LogP
6.92
Log S (ESOL)
-5.72
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.58
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.55
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-0.3

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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