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CAS 1903050-29-2 [3-(4-methylphenyl)oxetan-3-yl]methanol molecular structure lightbox
CAS RN: 1903050-29-2

[3-(4-methylphenyl)oxetan-3-yl]methanol

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251114 100mg / 500mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-089096
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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: 0.25g
  • 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 1903050-29-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

1903050-29-2 / [3-(4-methylphenyl)oxetan-3-yl]methanol

Standard CAS: 1903050-29-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1903050-29-2
Multi CAS
No
Molecular Formula
C11H14O2
Molecular Weight
178.230000
Exact Mass
178.099380
SMILES
CC1=CC=C(C=C1)C2(COC2)CO
InChI
InChI=1S/C11H14O2/c1-9-2-4-10(5-3-9)11(6-12)7-13-8-11/h2-5,12H,6-8H2,1H3
InChIKey
CCCMCBPWFXNLOX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
50.76
TPSA
29.46

LogP / Solubility

WLOGP
1.26
MLOGP
1.1
XLogP3
1.3
Consensus LogP
1.22
Log S (ESOL)
-1.95
Class (ESOL)
Soluble
Log S (Ali)
-1.93
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.1
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)
-2.92

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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