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CAS 23702-49-0 5-phenanthro(4,5-bcd)pyran-5-one molecular structure lightbox
CAS RN: 23702-49-0

5-phenanthro(4,5-bcd)pyran-5-one

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250513 1mg / 5mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS23702-49-0
  • Purity/Analytical Methods: >99.0%
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23702-49-0 / 2-oxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaen-3-one

Standard CAS: 23702-49-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
23702-49-0
Multi CAS
No
Molecular Formula
C15H8O2
Molecular Weight
220.220000
Exact Mass
220.052429
SMILES
C1=CC2=C3C(=C1)C(=O)OC4=CC=CC(=C43)C=C2
InChI
InChI=1S/C15H8O2/c16-15-11-5-1-3-9-7-8-10-4-2-6-12(17-15)14(10)13(9)11/h1-8H
InChIKey
SJXDHZGVKPNCHK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
16
H-bond acceptors
2
Molar refractivity
68.68
TPSA
30.21

LogP / Solubility

WLOGP
3.54
MLOGP
3.12
XLogP3
3.9
Consensus LogP
3.52
Log S (ESOL)
-4.13
Class (ESOL)
Slightly soluble
Log S (Ali)
-3.92
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.03
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.55

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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