[email protected]
CAS 114676-79-8 tert-butyl 5-o×a-2-aza-bicyclo[2.2.1]heptane-2-carbo×ylate molecular structure lightbox
CAS RN: 114676-79-8

tert-butyl 5-o×a-2-aza-bicyclo[2.2.1]heptane-2-carbo×ylate

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260414 50mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-014381
GET A QUOTE
Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 114676-79-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

114676-79-8 / tert-butyl 2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate

tert-butyl 2-Oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate | 2-Oxa-5-azabicyclo[2.2.1]heptane-5-carboxylic acid tert-butyl ester | MFCD08693704

Standard CAS: 114676-79-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
114676-79-8
Multi CAS
Yes
Molecular Formula
C10H17NO3
Molecular Weight
199.250000
Exact Mass
199.120843
SMILES
CC(C)(C)OC(=O)N1CC2CC1CO2
InChI
InChI=1S/C10H17NO3/c1-10(2,3)14-9(12)11-5-8-4-7(11)6-13-8/h7-8H,4-6H2,1-3H3
InChIKey
UETGVFOVBKMLPQ-UHFFFAOYSA-N
Synonyms
tert-butyl 2-Oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate 2-Oxa-5-azabicyclo[2.2.1]heptane-5-carboxylic acid tert-butyl ester MFCD08693704 tert-butyl 5-oxa-2-aza-bicyclo[2.2.1]heptane-2-carboxylate MFCD22571767

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.9
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
51.09
TPSA
38.77

LogP / Solubility

WLOGP
1.39
MLOGP
1.23
XLogP3
1
Consensus LogP
1.21
Log S (ESOL)
-1.95
Class (ESOL)
Soluble
Log S (Ali)
-2.2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.11
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)
-2.95

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us