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CAS 1936177-08-0 tert-butyl 8-benzylhexahydro-1H-pyrazino[1,2-a]pyrazine-2(6H)-carboxylate molecular structure lightbox
CAS RN: 1936177-08-0

tert-butyl 8-benzylhexahydro-1H-pyrazino[1,2-a]pyrazine-2(6H)-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260529 100mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-091311
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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 1936177-08-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1936177-08-0 / tert-butyl 8-benzyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxylate

Standard CAS: 1936177-08-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1936177-08-0
Multi CAS
No
Molecular Formula
C19H29N3O2
Molecular Weight
331.500000
Exact Mass
331.225977
SMILES
CC(C)(C)OC(=O)N1CCN2CCN(CC2C1)CC3=CC=CC=C3
InChI
InChI=1S/C19H29N3O2/c1-19(2,3)24-18(23)22-12-11-21-10-9-20(14-17(21)15-22)13-16-7-5-4-6-8-16/h4-8,17H,9-15H2,1-3H3
InChIKey
XSCHDBQKCSFSEA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.63
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
94.89
TPSA
36.02

LogP / Solubility

WLOGP
2.42
MLOGP
2.15
XLogP3
2.3
Consensus LogP
2.29
Log S (ESOL)
-3.47
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.03
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.07
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)
-3.02

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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