[email protected]
CAS 1311183-41-1 Tert-Butyl 1,4,5,7,8,9-Hexahydro-4,8-Epiminooxocino[5,4-C]Pyrazole-10-Carboxylate molecular structure lightbox
CAS RN: 1311183-41-1

Tert-Butyl 1,4,5,7,8,9-Hexahydro-4,8-Epiminooxocino[5,4-C]Pyrazole-10-Carboxylate

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250318 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1311183-41-1
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1311183-41-1 / tert-butyl 10-oxa-4,5,12-triazatricyclo[6.3.1.02,6]dodeca-2(6),3-diene-12-carboxylate

Standard CAS: 1311183-41-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1311183-41-1
Multi CAS
No
Molecular Formula
C13H19N3O3
Molecular Weight
265.310000
Exact Mass
265.142641
SMILES
CC(C)(C)OC(=O)N1C2CC3=C(C1COC2)C=NN3
InChI
InChI=1S/C13H19N3O3/c1-13(2,3)19-12(17)16-8-4-10-9(5-14-15-10)11(16)7-18-6-8/h5,8,11H,4,6-7H2,1-3H3,(H,14,15)
InChIKey
GSDNCOULAPQMCD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
5
Fraction Csp3
0.69
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
67.71
TPSA
67.45

LogP / Solubility

WLOGP
1.64
MLOGP
1.45
XLogP3
0.7
Consensus LogP
1.26
Log S (ESOL)
-2.71
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.92
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.75
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.17

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4.5

Customers Also Viewed

Get In Touch

Contact Us