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CAS 1196794-12-3 Benzo[c]phenanthrene, 2-chloro- molecular structure lightbox
CAS RN: 1196794-12-3

Benzo[c]phenanthrene, 2-chloro-

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251109 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1196794-12-3
  • Purity/Analytical Methods: >99.0%
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1196794-12-3 / 2-chlorobenzo[c]phenanthrene

2-Chlorobenzo[c]phenanthrene | SCHEMBL1934750 | SCHEMBL30887587

Standard CAS: 1196794-12-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1196794-12-3
Multi CAS
No
Molecular Formula
C18H11Cl
Molecular Weight
262.700000
Exact Mass
262.054928
SMILES
C1=CC=C2C(=C1)C=CC3=C2C4=C(C=C3)C=CC(=C4)Cl
InChI
InChI=1S/C18H11Cl/c19-15-10-9-13-6-8-14-7-5-12-3-1-2-4-16(12)18(14)17(13)11-15/h1-11H
InChIKey
MOGQLHWBDFZMJJ-UHFFFAOYSA-N
Synonyms
2-Chlorobenzo[c]phenanthrene SCHEMBL1934750 SCHEMBL30887587 MFCD34705994 BS-53557

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
18
Molar refractivity
83.97
TPSA
0.0000

LogP / Solubility

WLOGP
5.8
MLOGP
5.11
XLogP3
6.6
Consensus LogP
5.84
Log S (ESOL)
-5.82
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.9
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.18
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-0.2

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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