[email protected]
CAS 1167424-93-2 tert-butyl 6-benzyl-2,6-diazaspiro[3.3]heptane-2-carboxylate molecular structure lightbox
CAS RN: 1167424-93-2

tert-butyl 6-benzyl-2,6-diazaspiro[3.3]heptane-2-carboxylate

  • Product code: SSC-016676
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: 1g
  • 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 1167424-93-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1167424-93-2 / tert-butyl 6-benzyl-2,6-diazaspiro[3.3]heptane-2-carboxylate

tert-butyl 6-benzyl-2,6-diazaspiro[3.3]heptane-2-carboxylate | MFCD13184452 | 2,6-Diazaspiro[3.3]heptane-2-carboxylic acid, 6-(phenylmethyl)-, 1,1-dimethylethyl ester

Standard CAS: 1167424-93-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1167424-93-2
Multi CAS
Yes
Molecular Formula
C17H24N2O2
Molecular Weight
288.400000
Exact Mass
288.183778
SMILES
CC(C)(C)OC(=O)N1CC2(C1)CN(C2)CC3=CC=CC=C3
InChI
InChI=1S/C17H24N2O2/c1-16(2,3)21-15(20)19-12-17(13-19)10-18(11-17)9-14-7-5-4-6-8-14/h4-8H,9-13H2,1-3H3
InChIKey
FRCCDRQRHLFSHZ-UHFFFAOYSA-N
Synonyms
tert-butyl 6-benzyl-2,6-diazaspiro[3.3]heptane-2-carboxylate MFCD13184452 2,6-Diazaspiro[3.3]heptane-2-carboxylic acid, 6-(phenylmethyl)-, 1,1-dimethylethyl ester 2-Boc-6-benzyl-2,6-diazaspiro[3.3]heptane SCHEMBL19173661

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.59
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
81.96
TPSA
32.78

LogP / Solubility

WLOGP
2.74
MLOGP
2.42
XLogP3
2.3
Consensus LogP
2.49
Log S (ESOL)
-3.43
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.9
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.05
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.53

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5

Customers Also Viewed

Get In Touch

Contact Us