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CAS 312749-73-8 2-([2-(4-CHLOROPHENOXY)ETHYL]THIO)-1H-BENZIMIDAZOLE molecular structure lightbox
CAS RN: 312749-73-8

2-([2-(4-CHLOROPHENOXY)ETHYL]THIO)-1H-BENZIMIDAZOLE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260105 250mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS312749-73-8
  • Purity/Analytical Methods: >99.0%
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312749-73-8 / 2-[2-(4-chlorophenoxy)ethylsulfanyl]-1H-benzimidazole

Standard CAS: 312749-73-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
312749-73-8
Multi CAS
Yes
Molecular Formula
C15H13CLN2OS
Molecular Weight
304.800000
Exact Mass
304.043712
InChI
InChI=1S/C15H13ClN2OS/c16-11-5-7-12(8-6-11)19-9-10-20-15-17-13-3-1-2-4-14(13)18-15/h1-8H,9-10H2,(H,17,18)
InChIKey
KZEWVENYWPSSOZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
15
Fraction Csp3
0.13
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
83.76
TPSA
37.91

LogP / Solubility

WLOGP
4.39
MLOGP
3.87
XLogP3
4.6
Consensus LogP
4.29
Log S (ESOL)
-4.72
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.88
Class (SILICOS-IT)
Slightly soluble

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)
-1.46

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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