[email protected]
CAS 1211517-23-5 2-Cbz-2,6-diazaspiro[3.3]heptane oxalate molecular structure lightbox
CAS RN: 1211517-23-5

2-Cbz-2,6-diazaspiro[3.3]heptane oxalate

  • Product code: SSC-022553
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: 0.1g, 0.25g, 1g, 5g
  • Available purity: ≥95%
  • 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 1211517-23-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Beijing Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

1211517-23-5 / benzyl 2,6-diazaspiro[3.3]heptane-2-carboxylate

benzyl 2,6-diazaspiro[3.3]heptane-2-carboxylate | MFCD17079020 | 2,6-Diazaspiro[3.3]heptane-2-carboxylic acid, phenylmethyl ester

Standard CAS: 1211517-23-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1211517-23-5
Multi CAS
Yes
Molecular Formula
C13H16N2O2
Molecular Weight
232.280000
Exact Mass
232.121178
SMILES
C1C2(CN1)CN(C2)C(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C13H16N2O2/c16-12(15-9-13(10-15)7-14-8-13)17-6-11-4-2-1-3-5-11/h1-5,14H,6-10H2
InChIKey
PUCNIGULRFJAIC-UHFFFAOYSA-N
Synonyms
benzyl 2,6-diazaspiro[3.3]heptane-2-carboxylate MFCD17079020 2,6-Diazaspiro[3.3]heptane-2-carboxylic acid, phenylmethyl ester SCHEMBL3551987 SCHEMBL10153538

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
63.5
TPSA
41.57

LogP / Solubility

WLOGP
1.23
MLOGP
1.08
XLogP3
0.9
Consensus LogP
1.07
Log S (ESOL)
-2.18
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.35
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.43
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)
-3.26

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

Customers Also Viewed

Get In Touch

Contact Us