[email protected]
CAS 57353-93-2 4-(4-METHOXYPHENYL)-1-(2H)-PHTHALAZINON& molecular structure lightbox
CAS RN: 57353-93-2

4-(4-METHOXYPHENYL)-1-(2H)-PHTHALAZINON&

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251206 100g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS57353-93-2
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

57353-93-2 / 4-(4-methoxyphenyl)-2H-phthalazin-1-one

Standard CAS: 57353-93-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
57353-93-2
Multi CAS
Yes
Molecular Formula
C15H12N2O2
Molecular Weight
252.270000
Exact Mass
252.089878
InChI
InChI=1S/C15H12N2O2/c1-19-11-8-6-10(7-9-11)14-12-4-2-3-5-13(12)15(18)17-16-14/h2-9H,1H3,(H,17,18)
InChIKey
RYLLTTFNKPGBNO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
16
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
74.35
TPSA
54.98

LogP / Solubility

WLOGP
2.6
MLOGP
2.29
XLogP3
2.6
Consensus LogP
2.5
Log S (ESOL)
-3.53
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.5
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.7
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.41

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us