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CAS 103323-25-7 1-(5-hydroxy-2,4-dimethyl-phenyl)-ethanone molecular structure lightbox
CAS RN: 103323-25-7

1-(5-hydroxy-2,4-dimethyl-phenyl)-ethanone

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250526 1g In stock Inquiry
Batchno.20251104 250mg In stock Inquiry
Batchno.20260517 5g In stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260430 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS103323-25-7
  • Purity/Analytical Methods: >99.0%
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103323-25-7 / 1-(5-hydroxy-2,4-dimethylphenyl)ethanone

1-(2-hydroxy-3,5-dimethylphenyl)ethan-1-one | RefChem:422182 | 672-550-5

Standard CAS: 103323-25-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
103323-25-7
Multi CAS
Yes
Molecular Formula
C10H12O2
Molecular Weight
164.200000
Exact Mass
164.083730
SMILES
CC1=CC(=C(C=C1C(=O)C)O)C
InChI
InChI=1S/C10H12O2/c1-6-4-7(2)10(12)5-9(6)8(3)11/h4-5,12H,1-3H3
InChIKey
XRIBYFOVMSSZLH-UHFFFAOYSA-N
Synonyms
1-(2-hydroxy-3,5-dimethylphenyl)ethan-1-one RefChem:422182 672-550-5 3',5'-Dimethyl-2'-hydroxyacetophenone 1-(2-hydroxy-3,5-dimethylphenyl)ethanone

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
47.59
TPSA
37.3

LogP / Solubility

WLOGP
2.21
MLOGP
1.94
XLogP3
2
Consensus LogP
2.05
Log S (ESOL)
-2.56
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.5
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.68
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)
-2.15

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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