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CAS 10317-13-2 3-phenyloxetane molecular structure lightbox
CAS RN: 10317-13-2

3-phenyloxetane

Product Availability

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250621 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260624 100mg In stock Shanghai Inquiry
Batchno.20250423 1g In stock Shanghai Inquiry
Batchno.20250713 250mg In stock Shanghai Inquiry
  • Product code: SSC-004596
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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 10317-13-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

10317-13-2 / 3-phenyloxetane

3-phenyloxetane | DTXSID20472725 | RefChem:281817

Standard CAS: 10317-13-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
10317-13-2
Multi CAS
No
Molecular Formula
C9H10O
Molecular Weight
134.170000
Exact Mass
134.073165
SMILES
C1C(CO1)C2=CC=CC=C2
InChI
InChI=1S/C9H10O/c1-2-4-8(5-3-1)9-6-10-7-9/h1-5,9H,6-7H2
InChIKey
ROAGGVYFIYBKOY-UHFFFAOYSA-N
Synonyms
3-phenyloxetane DTXSID20472725 RefChem:281817 DTXCID60423539 MFCD17170019

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
40
TPSA
9.23

LogP / Solubility

WLOGP
1.8
MLOGP
1.58
XLogP3
1.6
Consensus LogP
1.66
Log S (ESOL)
-2.18
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.96
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.15
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)
-2.26

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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