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CAS 68892-13-7 1-Phenyldecane-1,3-dione molecular structure lightbox
CAS RN: 68892-13-7

1-Phenyldecane-1,3-dione

Product Availability

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250102 1g In stock Shanghai, Hebei Inquiry
Batchno.20250929 250mg In stock Shandong Inquiry
  • Product code: SSC-178561
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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 68892-13-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

68892-13-7 / 1-phenyldecane-1,3-dione

Standard CAS: 68892-13-7 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
68892-13-7
Multi CAS
Yes
Molecular Formula
C16H22O2
Molecular Weight
246.340000
Exact Mass
246.161980
InChI
InChI=1S/C16H22O2/c1-2-3-4-5-9-12-15(17)13-16(18)14-10-7-6-8-11-14/h6-8,10-11H,2-5,9,12-13H2,1H3
InChIKey
IFQULAPKPYIHBS-UHFFFAOYSA-N

Physical Properties

Physical Description
Dry Powder; Liquid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
9
H-bond acceptors
2
Molar refractivity
73.77
TPSA
34.14

LogP / Solubility

WLOGP
4.19
MLOGP
3.69
XLogP3
4.5
Consensus LogP
4.13
Log S (ESOL)
-3.66
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.6
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.82
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.25

Drug-likeness / Medicinal Chemistry

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

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