[email protected]
CAS 16307-59-8 2-Phenyl-3-phthalimidyl-1-propene molecular structure lightbox
CAS RN: 16307-59-8

2-Phenyl-3-phthalimidyl-1-propene

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250528 5g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS16307-59-8
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

16307-59-8 / 2-(2-phenylprop-2-enyl)isoindole-1,3-dione

Standard CAS: 16307-59-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
16307-59-8
Multi CAS
No
Molecular Formula
C17H13NO2
Molecular Weight
263.290000
Exact Mass
263.094629
SMILES
C=C(CN1C(=O)C2=CC=CC=C2C1=O)C3=CC=CC=C3
InChI
InChI=1S/C17H13NO2/c1-12(13-7-3-2-4-8-13)11-18-16(19)14-9-5-6-10-15(14)17(18)20/h2-10H,1,11H2
InChIKey
CDWLDGLHJIIQER-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.06
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
77.29
TPSA
37.38

LogP / Solubility

WLOGP
3
MLOGP
2.64
XLogP3
3.4
Consensus LogP
3.01
Log S (ESOL)
-3.61
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.88
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.22
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.2

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us