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CAS 2433-56-9 1-HYDROXY-PHENANTHRENE molecular structure lightbox
CAS RN: 2433-56-9

1-HYDROXY-PHENANTHRENE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260119 50mg / 100mg / 250mg Confirm by inquiry Shanghai, Chongqing Inquiry
  • Product code: starshine_CAS2433-56-9
  • Purity/Analytical Methods: >99.0%
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2433-56-9 / phenanthren-1-ol

Standard CAS: 2433-56-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2433-56-9
Multi CAS
No
Molecular Formula
C14H10O
Molecular Weight
194.230000
Exact Mass
194.073165
SMILES
C1=CC=C2C(=C1)C=CC3=C2C=CC=C3O
InChI
InChI=1S/C14H10O/c15-14-7-3-6-12-11-5-2-1-4-10(11)8-9-13(12)14/h1-9,15H
InChIKey
GTBXZWADMKOZQJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
14
H-bond acceptors
1
H-bond donors
1
Molar refractivity
63.12
TPSA
20.23

LogP / Solubility

WLOGP
3.7
MLOGP
3.25
XLogP3
4.1
Consensus LogP
3.68
Log S (ESOL)
-4.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-3.82
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.99
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.28

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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