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CAS 20649-40-5 Phenol, 4-[(1E)-3-hydroxy-1-propenyl]- molecular structure lightbox
CAS RN: 20649-40-5

Phenol, 4-[(1E)-3-hydroxy-1-propenyl]-

  • Product code: SSC-097287
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 8
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 20649-40-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 1 In Stock Shanghai Inquiry
0.1g ≥95% 1 In Stock Shenzhen Inquiry
0.25g -- 1 In Stock Shanghai Inquiry
0.25g ≥95% 1 In Stock Shanghai Inquiry
1g -- 1 In Stock Hong Kong Inquiry
1g ≥95% 1 In Stock Beijing Inquiry
5g -- 1 In Stock Hong Kong Inquiry
5g ≥95% 1 In Stock Shanghai Inquiry

20649-40-5 / 4-[(E)-3-hydroxyprop-1-enyl]phenol

Standard CAS: 20649-40-5 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
20649-40-5
Multi CAS
No
Molecular Formula
C9H10O2
Molecular Weight
150.170000
Exact Mass
150.068080
SMILES
C1=CC(=CC=C1/C=C/CO)O
InChI
InChI=1S/C9H10O2/c10-7-1-2-8-3-5-9(11)6-4-8/h1-6,10-11H,7H2/b2-1+
InChIKey
PTNLHDGQWUGONS-OWOJBTEDSA-N

Physical Properties

Melting Point
213.5 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
44.23
TPSA
40.46

LogP / Solubility

WLOGP
1.4
MLOGP
1.22
XLogP3
1.3
Consensus LogP
1.31
Log S (ESOL)
-1.92
Class (ESOL)
Soluble
Log S (Ali)
-1.8
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.04
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)
-2.64

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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