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CAS 854764-37-7 4-[(R)-(1-propyl-1H-imidazol-5-yl)methanesulfinyl]aniline molecular structure lightbox
CAS RN: 854764-37-7

4-[(R)-(1-propyl-1H-imidazol-5-yl)methanesulfinyl]aniline

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260315 100mg / 500mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-193887
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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 854764-37-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

854764-37-7 / 4-[(R)-(3-propylimidazol-4-yl)methylsulfinyl]aniline

Standard CAS: 854764-37-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
854764-37-7
Multi CAS
Yes
Molecular Formula
C13H17N3OS
Molecular Weight
263.360000
Exact Mass
263.109233
InChI
InChI=1S/C13H17N3OS/c1-2-7-16-10-15-8-12(16)9-18(17)13-5-3-11(14)4-6-13/h3-6,8,10H,2,7,9,14H2,1H3/t18-/m1/s1
InChIKey
QPYRLSBRGMJDHW-GOSISDBHSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
11
Fraction Csp3
0.31
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
73.48
TPSA
60.91

LogP / Solubility

WLOGP
2.18
MLOGP
1.93
XLogP3
0.9
Consensus LogP
1.67
Log S (ESOL)
-2.97
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.78
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.78

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2

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