CAS RN: 55120-49-5
Chrysene, 2-chloro-
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260224 | 10mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS55120-49-5
- Purity/Analytical Methods: >99.0%
55120-49-5 / 2-chlorochrysene
Basic Information
CAS
55120-49-5
Multi CAS
No
Molecular Formula
C18H11CL
Molecular Weight
262.700000
Exact Mass
262.054928
InChI
InChI=1S/C18H11Cl/c19-14-7-10-16-13(11-14)6-9-17-15-4-2-1-3-12(15)5-8-18(16)17/h1-11H
InChIKey
GEYDEIDXDHSFPX-UHFFFAOYSA-N
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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