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CAS 1126-20-1 2-(Allyloxy)phenol molecular structure lightbox
CAS RN: 1126-20-1

2-(Allyloxy)phenol

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250109 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong, Chongqing Inquiry
  • Product code: SSC-012949
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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: 5g
  • 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 1126-20-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry

1126-20-1 / 2-prop-2-enoxyphenol

Phenol, 2-(2-propenyloxy)- | RefChem:860792 | 2-(allyloxy)phenol

Standard CAS: 1126-20-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1126-20-1
Multi CAS
Yes
Molecular Formula
C9H10O2
Molecular Weight
150.170000
Exact Mass
150.068080
SMILES
C=CCOC1=CC=CC=C1O
InChI
InChI=1S/C9H10O2/c1-2-7-11-9-6-4-3-5-8(9)10/h2-6,10H,1,7H2
InChIKey
FNEJKCGACRPXBT-UHFFFAOYSA-N
Synonyms
Phenol, 2-(2-propenyloxy)- RefChem:860792 2-(allyloxy)phenol 2-allyloxyphenol 2-prop-2-enoxyphenol

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
43.8
TPSA
29.46

LogP / Solubility

WLOGP
1.96
MLOGP
1.72
XLogP3
1.9
Consensus LogP
1.86
Log S (ESOL)
-2.21
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.62
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)
-2.25

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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