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CAS 1192651-49-2 (2S,5R)-6-(benzyloxy)-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxamide molecular structure lightbox
CAS RN: 1192651-49-2

(2S,5R)-6-(benzyloxy)-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxamide

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250531 1g In stock Shanghai Inquiry
Batchno.20250718 20mg / 50mg / 250mg / 1g / 5g Confirm by inquiry Shanghai, Shandong Inquiry
Batchno.20250117 250mg In stock Shanghai Inquiry
Batchno.20260504 5g In stock Shanghai Inquiry
  • Product code: SSC-019770
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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: ＞97%
  • 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 1192651-49-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

1192651-49-2 / (2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxamide

(2S,5R)-6-(benzyloxy)-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxamide | (1R,2S,5R)-7-Oxo-6-(phenylmethoxy)-1,6-diazabicyclo[3.2.1]octane-2-carboxamide | (2S,5R)-6-(benzyloxy)-7-oxo-1,6-diazabicyclo(3.2.1)octane-2-carboxamide

Standard CAS: 1192651-49-2 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1192651-49-2
Multi CAS
Yes
Molecular Formula
C14H17N3O3
Molecular Weight
275.300000
Exact Mass
275.126991
SMILES
C1C[C@H](N2C[C@@H]1N(C2=O)OCC3=CC=CC=C3)C(=O)N
InChI
InChI=1S/C14H17N3O3/c15-13(18)12-7-6-11-8-16(12)14(19)17(11)20-9-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2,(H2,15,18)/t11-,12+/m1/s1
InChIKey
HYTSWLKLRKLRHK-NEPJUHHUSA-N
Synonyms
(2S,5R)-6-(benzyloxy)-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxamide (1R,2S,5R)-7-Oxo-6-(phenylmethoxy)-1,6-diazabicyclo[3.2.1]octane-2-carboxamide (2S,5R)-6-(benzyloxy)-7-oxo-1,6-diazabicyclo(3.2.1)octane-2-carboxamide (1R,2S,5R)-7-Oxo-6-(phenylmethoxy)-1,6-diazabicyclo(3.2.1)octane-2-carboxamide RefChem:399037

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
71.18
TPSA
75.87

LogP / Solubility

WLOGP
0.87
MLOGP
0.78
XLogP3
0.6
Consensus LogP
0.75
Log S (ESOL)
-2.05
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.45
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.65
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)
-3.78

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
5

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.

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