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CAS 1798-60-3 (R)-1-hydroxy-1-phenylacetone molecular structure lightbox
CAS RN: 1798-60-3

(R)-1-hydroxy-1-phenylacetone

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251021 10mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1798-60-3
  • Purity/Analytical Methods: >99.0%
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1798-60-3 / (1R)-1-hydroxy-1-phenylpropan-2-one

Standard CAS: 1798-60-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1798-60-3
Multi CAS
No
Molecular Formula
C9H10O2
Molecular Weight
150.170000
Exact Mass
150.068080
SMILES
CC(=O)[C@@H](C1=CC=CC=C1)O
InChI
InChI=1S/C9H10O2/c1-7(10)9(11)8-5-3-2-4-6-8/h2-6,9,11H,1H3/t9-/m0/s1
InChIKey
ZBFFNPODXBJBPW-VIFPVBQESA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
42.08
TPSA
37.3

LogP / Solubility

WLOGP
1.31
MLOGP
1.15
XLogP3
1
Consensus LogP
1.15
Log S (ESOL)
-1.87
Class (ESOL)
Soluble
Log S (Ali)
-1.74
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.96
Class (SILICOS-IT)
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)
-2.71

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (99.1%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P332+P317, P362+P364, and P501

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