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CAS 2503-46-0 4-HYDROXY-3-METHOXYPHENYLACETONE molecular structure lightbox
CAS RN: 2503-46-0

4-HYDROXY-3-METHOXYPHENYLACETONE

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251117 1g In stock Inquiry
Batchno.20250209 200mg In stock Inquiry
Batchno.20251020 250mg In stock Inquiry
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Batchno.20250710 5g In stock Inquiry
  • Product code: starshine_CAS2503-46-0
  • Purity/Analytical Methods: >99.0%
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2503-46-0 / 1-(4-hydroxy-3-methoxyphenyl)propan-2-one

Standard CAS: 2503-46-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2503-46-0
Multi CAS
No
Molecular Formula
C10H12O3
Molecular Weight
180.200000
Exact Mass
180.078644
SMILES
CC(=O)CC1=CC(=C(C=C1)O)OC
InChI
InChI=1S/C10H12O3/c1-7(11)5-8-3-4-9(12)10(6-8)13-2/h3-4,6,12H,5H2,1-2H3
InChIKey
LFVCJQWZGDLHSD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
49.04
TPSA
46.53

LogP / Solubility

WLOGP
1.53
MLOGP
1.35
XLogP3
0.5
Consensus LogP
1.13
Log S (ESOL)
-2.07
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.14
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.46
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)
-2.73

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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