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CAS 2039-77-2 9-ACETYLPHENANTHRENE molecular structure lightbox
CAS RN: 2039-77-2

9-ACETYLPHENANTHRENE

Product Availability

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5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250127 1g In stock Inquiry
Batchno.20260321 250mg In stock Inquiry
Batchno.20250218 50mg In stock Inquiry
Batchno.20260423 5g In stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250502 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-095965
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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: ＞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 2039-77-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

2039-77-2 / 1-phenanthren-9-ylethanone

Standard CAS: 2039-77-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2039-77-2
Multi CAS
No
Molecular Formula
C16H12O
Molecular Weight
220.260000
Exact Mass
220.088815
SMILES
CC(=O)C1=CC2=CC=CC=C2C3=CC=CC=C31
InChI
InChI=1S/C16H12O/c1-11(17)16-10-12-6-2-3-7-13(12)14-8-4-5-9-15(14)16/h2-10H,1H3
InChIKey
UIFAWZBYTTXSOG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
14
Fraction Csp3
0.06
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
71.46
TPSA
17.07

LogP / Solubility

WLOGP
4.2
MLOGP
3.69
XLogP3
4.1
Consensus LogP
4
Log S (ESOL)
-4.39
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.69
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.08

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

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