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CAS 14705-60-3 Hexahydro-3-(phenylmethyl) pyrrolo [1,2-a] pyrazine-1,4-dione molecular structure lightbox
CAS RN: 14705-60-3

Hexahydro-3-(phenylmethyl) pyrrolo [1,2-a] pyrazine-1,4-dione

Product Availability

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6 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250706 5mg / 25mg / 100mg / 250mg / 1g Confirm by inquiry Shanghai, Guangdong, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250319 100mg In stock Shanghai Inquiry
Batchno.20250414 1g In stock Shanghai Inquiry
Batchno.20260516 250mg In stock Shanghai Inquiry
Batchno.20250217 50mg In stock Shanghai Inquiry
Batchno.20250405 5mg / 25mg / 100mg Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: SSC-057909
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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 14705-60-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

14705-60-3 / 3-benzyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione

Standard CAS: 14705-60-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
14705-60-3
Multi CAS
No
Molecular Formula
C14H16N2O2
Molecular Weight
244.290000
Exact Mass
244.121178
SMILES
C1CC2C(=O)NC(C(=O)N2C1)CC3=CC=CC=C3
InChI
InChI=1S/C14H16N2O2/c17-13-12-7-4-8-16(12)14(18)11(15-13)9-10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9H2,(H,15,17)
InChIKey
QZBUWPVZSXDWSB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
66.81
TPSA
49.41

LogP / Solubility

WLOGP
0.72
MLOGP
0.64
XLogP3
1.4
Consensus LogP
0.92
Log S (ESOL)
-1.92
Class (ESOL)
Soluble
Log S (Ali)
-2.08
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.08
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)
-3.7

Drug-likeness / Medicinal Chemistry

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

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