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CAS 871930-30-2 ETHYL 1-CYCLOHEXYL-2-(FURAN-3-YL)-1H-BENZO[D]IMIDAZOLE-5-CARBOXYLATE molecular structure lightbox
CAS RN: 871930-30-2

ETHYL 1-CYCLOHEXYL-2-(FURAN-3-YL)-1H-BENZO[D]IMIDAZOLE-5-CARBOXYLATE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260201 250mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS871930-30-2
  • Purity/Analytical Methods: >99.0%
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871930-30-2 / ethyl 1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carboxylate

Standard CAS: 871930-30-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
871930-30-2
Multi CAS
No
Molecular Formula
C20H22N2O3
Molecular Weight
338.400000
Exact Mass
338.163043
InChI
InChI=1S/C20H22N2O3/c1-2-25-20(23)14-8-9-18-17(12-14)21-19(15-10-11-24-13-15)22(18)16-6-4-3-5-7-16/h8-13,16H,2-7H2,1H3
InChIKey
ZBBQVILRTYDNML-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
14
Fraction Csp3
0.4
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
95.51
TPSA
57.26

LogP / Solubility

WLOGP
4.98
MLOGP
4.4
XLogP3
4.1
Consensus LogP
4.49
Log S (ESOL)
-5.22
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.93
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.47
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.25

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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