[email protected]
CAS 31837-36-2 6-morpholinobenzo[de]isochromene-1,3-dione molecular structure lightbox
CAS RN: 31837-36-2

6-morpholinobenzo[de]isochromene-1,3-dione

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260504 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS31837-36-2
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

31837-36-2 / 8-morpholin-4-yl-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-2,4-dione

Standard CAS: 31837-36-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
31837-36-2
Multi CAS
No
Molecular Formula
C16H13NO4
Molecular Weight
283.280000
Exact Mass
283.084458
InChI
InChI=1S/C16H13NO4/c18-15-11-3-1-2-10-13(17-6-8-20-9-7-17)5-4-12(14(10)11)16(19)21-15/h1-5H,6-9H2
InChIKey
YAFXXTOCNNZINP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
10
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
76.73
TPSA
55.84

LogP / Solubility

WLOGP
1.99
MLOGP
1.76
XLogP3
2.3
Consensus LogP
2.02
Log S (ESOL)
-3.13
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.32
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.27
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.04

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
3

Customers Also Viewed

Get In Touch

Contact Us