[email protected]
CAS 1520084-10-9 Tert-Butyl 3-Thia-6-Azabicyclo[3.1.1]Heptane-6-Carboxylate(WXC00722) molecular structure lightbox
CAS RN: 1520084-10-9

Tert-Butyl 3-Thia-6-Azabicyclo[3.1.1]Heptane-6-Carboxylate(WXC00722)

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250511 100mg / 500mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1520084-10-9
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1520084-10-9 / tert-butyl 3-thia-6-azabicyclo[3.1.1]heptane-6-carboxylate

Standard CAS: 1520084-10-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1520084-10-9
Multi CAS
No
Molecular Formula
C10H17NO2S
Molecular Weight
215.310000
Exact Mass
215.098000
SMILES
CC(C)(C)OC(=O)N1C2CC1CSC2
InChI
InChI=1S/C10H17NO2S/c1-10(2,3)13-9(12)11-7-4-8(11)6-14-5-7/h7-8H,4-6H2,1-3H3
InChIKey
NDDRKVOFPUVRFU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.9
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
57.59
TPSA
29.54

LogP / Solubility

WLOGP
2.11
MLOGP
1.86
XLogP3
1.8
Consensus LogP
1.92
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.85
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.81
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.53

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us