[email protected]
CAS 161513-47-9 (S)-1-(TERT-BUTOXYCARBONYL)-2,3-OXIRANYLMETHYLAMINE molecular structure lightbox
CAS RN: 161513-47-9

(S)-1-(TERT-BUTOXYCARBONYL)-2,3-OXIRANYLMETHYLAMINE

Product Availability

Choose a grade to view its available package options.

5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250513 100mg In stock Shanghai Inquiry
Batchno.20260227 1g In stock Shanghai Inquiry
Batchno.20250123 250mg In stock Shanghai Inquiry
Batchno.20250730 50mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250614 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-069150
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: 25g
  • 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 161513-47-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥97% 0 Out of Stock Beijing Inquiry

161513-47-9 / tert-butyl N-[[(2S)-oxiran-2-yl]methyl]carbamate

Standard CAS: 161513-47-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
161513-47-9
Multi CAS
No
Molecular Formula
C8H15NO3
Molecular Weight
173.210000
Exact Mass
173.105193
SMILES
CC(C)(C)OC(=O)NC[C@H]1CO1
InChI
InChI=1S/C8H15NO3/c1-8(2,3)12-7(10)9-4-6-5-11-6/h6H,4-5H2,1-3H3,(H,9,10)/t6-/m0/s1
InChIKey
ZBBGKXNNTNBRBH-LURJTMIESA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.88
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
43.98
TPSA
50.86

LogP / Solubility

WLOGP
0.91
MLOGP
0.8
XLogP3
0.6
Consensus LogP
0.77
Log S (ESOL)
-1.36
Class (ESOL)
Soluble
Log S (Ali)
-1.64
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.78
Class (SILICOS-IT)
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)
-3.13

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H319 (97.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501

Customers Also Viewed

Get In Touch

Contact Us