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CAS 160004-14-8 ethyl 2-(1H-benzimidazol-2-ylthio)propanoate molecular structure lightbox
CAS RN: 160004-14-8

ethyl 2-(1H-benzimidazol-2-ylthio)propanoate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250909 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-067991
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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: 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 160004-14-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

160004-14-8 / ethyl 2-(1H-benzimidazol-2-ylsulfanyl)propanoate

Standard CAS: 160004-14-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
160004-14-8
Multi CAS
No
Molecular Formula
C12H14N2O2S
Molecular Weight
250.320000
Exact Mass
250.077599
SMILES
CCOC(=O)C(C)SC1=NC2=CC=CC=C2N1
InChI
InChI=1S/C12H14N2O2S/c1-3-16-11(15)8(2)17-12-13-9-6-4-5-7-10(9)14-12/h4-8H,3H2,1-2H3,(H,13,14)
InChIKey
BIIYNBBOZKYDQE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
9
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
68.05
TPSA
54.98

LogP / Solubility

WLOGP
2.61
MLOGP
2.3
XLogP3
3
Consensus LogP
2.64
Log S (ESOL)
-3.16
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.49
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.93
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.4

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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