[email protected]
CAS 17088-21-0 1-vinylpyrene molecular structure lightbox
CAS RN: 17088-21-0

1-vinylpyrene

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260124 25mg / 50mg / 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS17088-21-0
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

17088-21-0 / 1-ethenylpyrene

Standard CAS: 17088-21-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
17088-21-0
Multi CAS
No
Molecular Formula
C18H12
Molecular Weight
228.300000
Exact Mass
228.093900
SMILES
C=CC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1
InChI
InChI=1S/C18H12/c1-2-12-6-7-15-9-8-13-4-3-5-14-10-11-16(12)18(15)17(13)14/h2-11H,1H2
InChIKey
WPMHMYHJGDAHKX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
16
Rotatable bonds
1
Molar refractivity
80.24
TPSA
0.0000

LogP / Solubility

WLOGP
5.23
MLOGP
4.6
XLogP3
5.8
Consensus LogP
5.21
Log S (ESOL)
-5.14
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.21
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.6
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
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)
-0.4

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

Customers Also Viewed

Get In Touch

Contact Us