![CAS 227-09-8 Dibenzo[a,l]pentacene molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/d5488-jpgcontextbwfzdgvyfhjvb3r8mzi3njr8aw1hz2uvanblz3xozguvage2lzg5mzaznzq2ndc4mzgvrdu0odguanbnfddizdg2mdgzodcwyjhmnjnkyjvkymfintuzmtg3owjjmzy5yjzlotnkztc4ntezmdvimge0zgexyte3yjuzyza.jpeg)
CAS RN: 227-09-8
Dibenzo[a,l]pentacene
Product Availability
Available package options are listed below.
1 package records1 with current stock
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260509 | 10mg / 50mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: ICTD5488
227-09-8 / heptacyclo[16.12.0.03,16.05,14.06,11.020,29.021,26]triaconta-1,3(16),4,6,8,10,12,14,17,19,21,23,25,27,29-pentadecaene
Basic Information
CAS
227-09-8
Multi CAS
No
Molecular Formula
C30H18
Molecular Weight
378.500000
Exact Mass
378.140851
SMILES
C1=CC=C2C(=C1)C=CC3=CC4=CC5=C(C=C6C=CC7=CC=CC=C7C6=C5)C=C4C=C32
InChI
InChI=1S/C30H18/c1-3-7-27-19(5-1)9-11-21-13-23-16-26-18-30-22(12-10-20-6-2-4-8-28(20)30)14-24(26)15-25(23)17-29(21)27/h1-18H
InChIKey
XSTMLGGLUNLJRY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
30
Molar refractivity
131.48
TPSA
0.0000
LogP / Solubility
WLOGP
8.61
MLOGP
7.59
XLogP3
9
Consensus LogP
8.4
Log S (ESOL)
-8.35
Class (ESOL)
Insoluble
Log S (Ali)
-8.88
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.26
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
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