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CAS 17792-67-5 4-(PHENYLTHIO)OCTANOPHENONE molecular structure lightbox
CAS RN: 17792-67-5

4-(PHENYLTHIO)OCTANOPHENONE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251031 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-077797
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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 17792-67-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

17792-67-5 / 1-phenyl-4-phenylsulfanyloctan-1-one

Standard CAS: 17792-67-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
17792-67-5
Multi CAS
No
Molecular Formula
C20H24OS
Molecular Weight
312.500000
Exact Mass
312.154787
SMILES
CCCCC(CCC(=O)C1=CC=CC=C1)SC2=CC=CC=C2
InChI
InChI=1S/C20H24OS/c1-2-3-12-19(22-18-13-8-5-9-14-18)15-16-20(21)17-10-6-4-7-11-17/h4-11,13-14,19H,2-3,12,15-16H2,1H3
InChIKey
OLDDXWUOAAPWJN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.35
Rotatable bonds
9
H-bond acceptors
2
Molar refractivity
95.62
TPSA
17.07

LogP / Solubility

WLOGP
6
MLOGP
5.29
XLogP3
6
Consensus LogP
5.76
Log S (ESOL)
-5.37
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.45
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.75
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-0.37

Drug-likeness / Medicinal Chemistry

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

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