CAS RN: 214-17-5
BENZO(B)CHRYSENE
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251121 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS214-17-5
- Purity/Analytical Methods: >99.0%
214-17-5 / pentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
Basic Information
CAS
214-17-5
Multi CAS
No
Molecular Formula
C22H14
Molecular Weight
278.300000
Exact Mass
278.109550
SMILES
C1=CC=C2C(=C1)C=CC3=C2C=CC4=CC5=CC=CC=C5C=C43
InChI
InChI=1S/C22H14/c1-2-7-17-14-22-18(13-16(17)6-1)10-12-20-19-8-4-3-5-15(19)9-11-21(20)22/h1-14H
InChIKey
YYGRIGYJXSQDQB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
22
Molar refractivity
96.47
TPSA
0.0000
LogP / Solubility
WLOGP
6.3
MLOGP
5.55
XLogP3
6.5
Consensus LogP
6.12
Log S (ESOL)
-6.27
Class (ESOL)
Insoluble
Log S (Ali)
-6.39
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.7
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)
0.05
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
3.5
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