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CAS 1674-37-9 n-Octanophenone molecular structure lightbox
CAS RN: 1674-37-9

n-Octanophenone

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260124 100ml In stock Inquiry
Batchno.20260324 25ml In stock Inquiry
Batchno.20260516 5ml In stock Inquiry
  • Product code: SSC-073021
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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: 25ml
  • Available purity: ＞97%
  • 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 1674-37-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
25ml ＞97% 0 Out of Stock Shanghai Inquiry

1674-37-9 / 1-phenyloctan-1-one

Standard CAS: 1674-37-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1674-37-9
Multi CAS
No
Molecular Formula
C14H20O
Molecular Weight
204.310000
Exact Mass
204.151415
SMILES
CCCCCCCC(=O)C1=CC=CC=C1
InChI
InChI=1S/C14H20O/c1-2-3-4-5-9-12-14(15)13-10-7-6-8-11-13/h6-8,10-11H,2-5,9,12H2,1H3
InChIKey
UDEVCZRUNOLVLU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
7
H-bond acceptors
1
Molar refractivity
64.15
TPSA
17.07

LogP / Solubility

WLOGP
4.23
MLOGP
3.72
XLogP3
4.6
Consensus LogP
4.18
Log S (ESOL)
-3.61
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.29
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.34
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)
-0.96

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 37 of 37 companies. For more detailed information, please visit ECHA C&L website.

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