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CAS 106691-72-9 (R)-tert-butyl 2-oxoazepan-3-ylcarbaMate molecular structure lightbox
CAS RN: 106691-72-9

(R)-tert-butyl 2-oxoazepan-3-ylcarbaMate

Product Availability

Choose a grade to view its available package options.

4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251108 100mg In stock Shanghai, Shenzhen Inquiry
Batchno.20250315 100mg / 250mg Out of stock 8-10 business days Inquiry
Batchno.20260611 1g In stock Shanghai Inquiry
Batchno.20260603 250mg In stock Shanghai, Tianjin, Wuhan Inquiry
  • Product code: SSC-008232
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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
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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 106691-72-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Beijing Inquiry

106691-72-9 / tert-butyl N-[(3R)-2-oxoazepan-3-yl]carbamate

(R)-tert-Butyl (2-oxoazepan-3-yl)carbamate | tert-butyl N-[(3R)-2-oxoazepan-3-yl]carbamate | MFCD03788637

Standard CAS: 106691-72-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
106691-72-9
Multi CAS
Yes
Molecular Formula
C11H20N2O3
Molecular Weight
228.290000
Exact Mass
228.147393
SMILES
CC(C)(C)OC(=O)N[C@@H]1CCCCNC1=O
InChI
InChI=1S/C11H20N2O3/c1-11(2,3)16-10(15)13-8-6-4-5-7-12-9(8)14/h8H,4-7H2,1-3H3,(H,12,14)(H,13,15)/t8-/m1/s1
InChIKey
AQKNKAUJTJFUMG-MRVPVSSYSA-N
Synonyms
(R)-tert-Butyl (2-oxoazepan-3-yl)carbamate tert-butyl N-[(3R)-2-oxoazepan-3-yl]carbamate MFCD03788637 (R)-TERT-BUTYL 2-OXOAZEPAN-3-YLCARBAMATE (R)-tert-Butyl(2-oxoazepan-3-yl)carbamate

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.82
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
60.02
TPSA
67.43

LogP / Solubility

WLOGP
1.18
MLOGP
1.04
XLogP3
1.2
Consensus LogP
1.14
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-2.28
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.24
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)
-3.27

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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