[email protected]
CAS 1340481-80-2 2-tert-Butyl 8-methyl 5-thia-2-azaspiro[3.4]octane-2,8-dicarboxylate 5,5-dioxide molecular structure lightbox
CAS RN: 1340481-80-2

2-tert-Butyl 8-methyl 5-thia-2-azaspiro[3.4]octane-2,8-dicarboxylate 5,5-dioxide

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250508 100mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1340481-80-2
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1340481-80-2 / 2-O-tert-butyl 8-O-methyl 5,5-dioxo-5lambda6-thia-2-azaspiro[3.4]octane-2,8-dicarboxylate

Standard CAS: 1340481-80-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1340481-80-2
Multi CAS
No
Molecular Formula
C13H21NO6S
Molecular Weight
319.380000
Exact Mass
319.108959
SMILES
CC(C)(C)OC(=O)N1CC2(C1)C(CCS2(=O)=O)C(=O)OC
InChI
InChI=1S/C13H21NO6S/c1-12(2,3)20-11(16)14-7-13(8-14)9(10(15)19-4)5-6-21(13,17)18/h9H,5-8H2,1-4H3
InChIKey
SGURKCGAVXZZLF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Fraction Csp3
0.85
Rotatable bonds
1
H-bond acceptors
6
Molar refractivity
74.45
TPSA
89.98

LogP / Solubility

WLOGP
0.58
MLOGP
0.53
XLogP3
0.1
Consensus LogP
0.4
Log S (ESOL)
-2.12
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.6
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.34
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)
-4.25

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4

Customers Also Viewed

Get In Touch

Contact Us