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CAS 832-69-9 1-METHYLPHENANTHRENE molecular structure lightbox
CAS RN: 832-69-9

1-METHYLPHENANTHRENE

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Batchno.20260131 10mg In stock Shanghai, Guangdong Inquiry
  • Product code: starshine_CAS832-69-9
  • Purity/Analytical Methods: >99.0%
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832-69-9 / 1-methylphenanthrene

Standard CAS: 832-69-9 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
832-69-9
Multi CAS
No
Molecular Formula
C15H12
Molecular Weight
192.250000
Exact Mass
192.093900
InChI
InChI=1S/C15H12/c1-11-5-4-8-15-13(11)10-9-12-6-2-3-7-14(12)15/h2-10H,1H3
InChIKey
DOWJXOHBNXRUOD-UHFFFAOYSA-N

Physical Properties

Melting Point
253 °F (NTP, 1992)
Physical Description
1-methylphenanthrene is a white crystalline powder. (NTP, 1992) White solid; [CAMEO] White crystalline powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
14
Fraction Csp3
0.07
Molar refractivity
66.19
TPSA
0.0000

LogP / Solubility

WLOGP
4.3
MLOGP
3.78
XLogP3
5.1
Consensus LogP
4.39
Log S (ESOL)
-4.43
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.24
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.48
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.84

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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