[email protected]
CAS 2043-00-7 1-Styrylnaphthalene molecular structure lightbox
CAS RN: 2043-00-7

1-Styrylnaphthalene

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260410 100mg / 250mg / 1g Confirm by inquiry Shanghai 15 business days Inquiry
  • Product code: ICTS0488
  • Purity/Analytical Methods: >95.0%(GC)
GET A QUOTE

2043-00-7 / 1-[(E)-2-phenylethenyl]naphthalene

Standard CAS: 2043-00-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2043-00-7
Multi CAS
No
Molecular Formula
C18H14
Molecular Weight
230.300000
Exact Mass
230.109550
SMILES
C1=CC=C(C=C1)/C=C/C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C18H14/c1-2-7-15(8-3-1)13-14-17-11-6-10-16-9-4-5-12-18(16)17/h1-14H/b14-13+
InChIKey
QAVDMWIHZMXKFR-BUHFOSPRSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
16
Rotatable bonds
2
Molar refractivity
79.32
TPSA
0.0000

LogP / Solubility

WLOGP
5.01
MLOGP
4.41
XLogP3
5.4
Consensus LogP
4.94
Log S (ESOL)
-4.95
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.07
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.56
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)
-0.57

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
1.5

Customers Also Viewed

Get In Touch

Contact Us