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CAS 235-92-7 1H-Cyclopenta[l]phenanthrene molecular structure lightbox
CAS RN: 235-92-7

1H-Cyclopenta[l]phenanthrene

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260120 5g Out of stock 15 business days Inquiry
  • Product code: ICTC1689
  • Purity/Analytical Methods: >96.0%(GC)
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235-92-7 / 15H-cyclopenta[a]phenanthrene

Standard CAS: 235-92-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
235-92-7
Multi CAS
No
Molecular Formula
C17H12
Molecular Weight
216.280000
Exact Mass
216.093900
SMILES
C1C=CC2=C1C3=C(C=C2)C4=CC=CC=C4C=C3
InChI
InChI=1S/C17H12/c1-2-6-14-12(4-1)8-10-17-15-7-3-5-13(15)9-11-16(14)17/h1-6,8-11H,7H2
InChIKey
LFVNLPNQKQNMJU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
14
Fraction Csp3
0.06
Molar refractivity
74.19
TPSA
0.0000

LogP / Solubility

WLOGP
4.56
MLOGP
4.02
XLogP3
5.2
Consensus LogP
4.59
Log S (ESOL)
-4.66
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.63
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.85
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.8

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
2

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