[email protected]
CAS 227940-72-9 tert-butyl 3,7-diazabicyclo[3.3.1]nonane-3-carboxylate molecular structure lightbox
CAS RN: 227940-72-9

tert-butyl 3,7-diazabicyclo[3.3.1]nonane-3-carboxylate

Product Availability

Choose a grade to view its available package options.

5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250329 100mg In stock Shanghai, Chengdu Inquiry
Batchno.20250615 100mg / 250mg Out of stock 8-10 business days Inquiry
Batchno.20260309 1g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250522 250mg In stock Shanghai Inquiry
Batchno.20260429 5g In stock Shanghai Inquiry
  • Product code: SSC-110985
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: ＞97%
  • 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 227940-72-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

227940-72-9 / tert-butyl 3,7-diazabicyclo[3.3.1]nonane-3-carboxylate

Standard CAS: 227940-72-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
227940-72-9
Multi CAS
No
Molecular Formula
C12H22N2O2
Molecular Weight
226.320000
Exact Mass
226.168128
SMILES
CC(C)(C)OC(=O)N1CC2CC(C1)CNC2
InChI
InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-7-9-4-10(8-14)6-13-5-9/h9-10,13H,4-8H2,1-3H3
InChIKey
ZFVNQMTWYYKBES-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.92
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
62.27
TPSA
41.57

LogP / Solubility

WLOGP
1.46
MLOGP
1.29
XLogP3
1.1
Consensus LogP
1.28
Log S (ESOL)
-2.16
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.47
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.35
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)
-3.06

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