[email protected]
CAS 64985-42-8 N-(4-Hydroxyphenylethyl)phthaliMide molecular structure lightbox
CAS RN: 64985-42-8

N-(4-Hydroxyphenylethyl)phthaliMide

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251222 5g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS64985-42-8
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

64985-42-8 / 2-[2-(4-hydroxyphenyl)ethyl]isoindole-1,3-dione

Standard CAS: 64985-42-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
64985-42-8
Multi CAS
No
Molecular Formula
C16H13NO3
Molecular Weight
267.280000
Exact Mass
267.089543
InChI
InChI=1S/C16H13NO3/c18-12-7-5-11(6-8-12)9-10-17-15(19)13-3-1-2-4-14(13)16(17)20/h1-8,18H,9-10H2
InChIKey
VGTDJOXZSROPLT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
73.62
TPSA
57.61

LogP / Solubility

WLOGP
2.23
MLOGP
1.97
XLogP3
3.1
Consensus LogP
2.43
Log S (ESOL)
-3.15
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.36
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.61
Class (SILICOS-IT)
Poorly 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)
-2.77

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