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CAS 2306274-51-9 3,8-Diazabicyclo[3.2.1]octane-8-carboxylic acid, 6-oxo-3-(phenylmethyl)-, 1,1-dimethylethyl ester molecular structure lightbox
CAS RN: 2306274-51-9

3,8-Diazabicyclo[3.2.1]octane-8-carboxylic acid, 6-oxo-3-(phenylmethyl)-, 1,1-dimethylethyl ester

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251229 50mg / 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-112329
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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 2306274-51-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

2306274-51-9 / tert-butyl 3-benzyl-6-oxo-3,8-diazabicyclo[3.2.1]octane-8-carboxylate

Standard CAS: 2306274-51-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2306274-51-9
Multi CAS
No
Molecular Formula
C18H24N2O3
Molecular Weight
316.400000
Exact Mass
316.178693
SMILES
CC(C)(C)OC(=O)N1C2CC(=O)C1CN(C2)CC3=CC=CC=C3
InChI
InChI=1S/C18H24N2O3/c1-18(2,3)23-17(22)20-14-9-16(21)15(20)12-19(11-14)10-13-7-5-4-6-8-13/h4-8,14-15H,9-12H2,1-3H3
InChIKey
SYLXCDDWDWDCFX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
86.99
TPSA
49.85

LogP / Solubility

WLOGP
2.45
MLOGP
2.17
XLogP3
2.1
Consensus LogP
2.24
Log S (ESOL)
-3.41
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.92
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.99
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.91

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
5.5

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