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CAS 1160247-10-8 6-Benzyl 2-tert-butyl 2,6,9-triazaspiro[4.5]decane-2,6-dicarboxylate molecular structure lightbox
CAS RN: 1160247-10-8

6-Benzyl 2-tert-butyl 2,6,9-triazaspiro[4.5]decane-2,6-dicarboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250128 100mg / 250mg / 500mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-016080
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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 1160247-10-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1160247-10-8 / 6-O-benzyl 2-O-tert-butyl 2,6,9-triazaspiro[4.5]decane-2,6-dicarboxylate

6-BENZYL 2-TERT-BUTYL 2,6,9-TRIAZASPIRO[4.5]DECANE-2,6-DICARBOXYLATE | MFCD12198546 | 6-Benzyl 2-tert-butyl 2,6,9-triazaspiro-[4.5]decane-2,6-dicarboxylate

Standard CAS: 1160247-10-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1160247-10-8
Multi CAS
No
Molecular Formula
C20H29N3O4
Molecular Weight
375.500000
Exact Mass
375.215806
SMILES
CC(C)(C)OC(=O)N1CCC2(C1)CNCCN2C(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C20H29N3O4/c1-19(2,3)27-17(24)22-11-9-20(15-22)14-21-10-12-23(20)18(25)26-13-16-7-5-4-6-8-16/h4-8,21H,9-15H2,1-3H3
InChIKey
WBVPUSRPXQVDJC-UHFFFAOYSA-N
Synonyms
6-BENZYL 2-TERT-BUTYL 2,6,9-TRIAZASPIRO[4.5]DECANE-2,6-DICARBOXYLATE MFCD12198546 6-Benzyl 2-tert-butyl 2,6,9-triazaspiro-[4.5]decane-2,6-dicarboxylate 6-O-benzyl 2-O-tert-butyl 2,6,9-triazaspiro[4.5]decane-2,6-dicarboxylate O6-benzyl O2-tert-butyl 2,6,9-triazaspiro[4.5]decane-2,6-dicarboxylate

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
101.36
TPSA
71.11

LogP / Solubility

WLOGP
2.61
MLOGP
2.32
XLogP3
1.9
Consensus LogP
2.28
Log S (ESOL)
-3.84
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.52
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.51
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
Yes
Log Kp (skin permeation)
-3.16

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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