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CAS 67085-11-4 1-[4-(4-Chlorophenyl)-2-hydroxylbutyl]imidazole molecular structure lightbox
CAS RN: 67085-11-4

1-[4-(4-Chlorophenyl)-2-hydroxylbutyl]imidazole

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250214 5g / 25g Confirm by inquiry Shandong Inquiry
  • Product code: SSC-176734
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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: 25g, 100g
  • 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 67085-11-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Hong Kong Inquiry
100g ≥95% 0 Out of Stock Shenzhen Inquiry

67085-11-4 / (2S)-4-(4-chlorophenyl)-1-imidazol-1-ylbutan-2-ol

Standard CAS: 67085-11-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
67085-11-4
Multi CAS
Yes
Molecular Formula
C13H15CLN2O
Molecular Weight
250.720000
Exact Mass
250.087291
InChI
InChI=1S/C13H15ClN2O/c14-12-4-1-11(2-5-12)3-6-13(17)9-16-8-7-15-10-16/h1-2,4-5,7-8,10,13,17H,3,6,9H2/t13-/m0/s1
InChIKey
YAHZVMVZBIMHGM-ZDUSSCGKSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
11
Fraction Csp3
0.31
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
68.01
TPSA
38.05

LogP / Solubility

WLOGP
2.53
MLOGP
2.23
XLogP3
2.3
Consensus LogP
2.35
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.44
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.99
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)
-2.45

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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