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CAS 1177266-41-9 2,7-Diazaspiro[4.4]nonane-2-carboxylic acid, 7-(phenylMethyl)-, 1,1-diMethylethyl ester molecular structure lightbox
CAS RN: 1177266-41-9

2,7-Diazaspiro[4.4]nonane-2-carboxylic acid, 7-(phenylMethyl)-, 1,1-diMethylethyl ester

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251006 100mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-017555
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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

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Recorded sizes, purity and stock details for CAS 1177266-41-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1177266-41-9 / tert-butyl 7-benzyl-2,7-diazaspiro[4.4]nonane-2-carboxylate

tert-butyl 7-benzyl-2,7-diazaspiro[4.4]nonane-2-carboxylate | 2,7-Diazaspiro[4.4]nonane-2-carboxylic acid, 7-(phenylMethyl)-, 1,1-diMethylethyl ester | MFCD13184503

Standard CAS: 1177266-41-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1177266-41-9
Multi CAS
No
Molecular Formula
C19H28N2O2
Molecular Weight
316.400000
Exact Mass
316.215078
SMILES
CC(C)(C)OC(=O)N1CCC2(C1)CCN(C2)CC3=CC=CC=C3
InChI
InChI=1S/C19H28N2O2/c1-18(2,3)23-17(22)21-12-10-19(15-21)9-11-20(14-19)13-16-7-5-4-6-8-16/h4-8H,9-15H2,1-3H3
InChIKey
SLDUJJSRLZDAIX-UHFFFAOYSA-N
Synonyms
tert-butyl 7-benzyl-2,7-diazaspiro[4.4]nonane-2-carboxylate 2,7-Diazaspiro[4.4]nonane-2-carboxylic acid, 7-(phenylMethyl)-, 1,1-diMethylethyl ester MFCD13184503 SCHEMBL1426231 WLZ4398

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.63
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
91.19
TPSA
32.78

LogP / Solubility

WLOGP
3.52
MLOGP
3.11
XLogP3
3
Consensus LogP
3.21
Log S (ESOL)
-4.08
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.7
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.88
Class (SILICOS-IT)
Slightly 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)
-2.15

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

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