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CAS 3810-26-2 3-Phenyl-2-cyclopenten-1-one molecular structure lightbox
CAS RN: 3810-26-2

3-Phenyl-2-cyclopenten-1-one

  • Product code: SSC-145611
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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 3810-26-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

3810-26-2 / 3-phenylcyclopent-2-en-1-one

Standard CAS: 3810-26-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3810-26-2
Multi CAS
Yes
Molecular Formula
C11H10O
Molecular Weight
158.200000
Exact Mass
158.073165
InChI
InChI=1S/C11H10O/c12-11-7-6-10(8-11)9-4-2-1-3-5-9/h1-5,8H,6-7H2
InChIKey
UHTNKICWCQWOBM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.18
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
48.66
TPSA
17.07

LogP / Solubility

WLOGP
2.43
MLOGP
2.14
XLogP3
1.7
Consensus LogP
2.09
Log S (ESOL)
-2.66
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.61
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.83
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.96

Drug-likeness / Medicinal Chemistry

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

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