[email protected]
CAS 124346-74-3 5,6,7-TRIMETHOXY-1H-BENZO[D][1,3]OXAZINE-2,4-DIONE molecular structure lightbox
CAS RN: 124346-74-3

5,6,7-TRIMETHOXY-1H-BENZO[D][1,3]OXAZINE-2,4-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.20251110 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS124346-74-3
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

124346-74-3 / 5,6,7-trimethoxy-1H-3,1-benzoxazine-2,4-dione

Standard CAS: 124346-74-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
124346-74-3
Multi CAS
No
Molecular Formula
C11H11NO6
Molecular Weight
253.210000
Exact Mass
253.058637
SMILES
COC1=C(C(=C2C(=C1)NC(=O)OC2=O)OC)OC
InChI
InChI=1S/C11H11NO6/c1-15-6-4-5-7(9(17-3)8(6)16-2)10(13)18-11(14)12-5/h4H,1-3H3,(H,12,14)
InChIKey
DRDVRYQYAJVTJF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
10
Fraction Csp3
0.27
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
1
Molar refractivity
62.76
TPSA
90.76

LogP / Solubility

WLOGP
0.51
MLOGP
0.45
XLogP3
0.9
Consensus LogP
0.62
Log S (ESOL)
-1.94
Class (ESOL)
Soluble
Log S (Ali)
-2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.09
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.9

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