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CAS 313369-25-4 (6bR,10aS)-Ethyl 3-methyl-2-oxo-2,3,6b,7,10,10a-hexahydro-1H-pyrido[3′,4′:4,5]pyrrolo[1,2,3-de]quinoxaline-8(9H)-carboxylate molecular structure lightbox
CAS RN: 313369-25-4

(6bR,10aS)-Ethyl 3-methyl-2-oxo-2,3,6b,7,10,10a-hexahydro-1H-pyrido[3′,4′:4,5]pyrrolo[1,2,3-de]quinoxaline-8(9H)-carboxylate

Product Availability

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7 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250204 100mg In stock Shanghai Inquiry
Batchno.20250919 10g In stock Shanghai Inquiry
Batchno.20250516 1g Out of stock 5-7 business days Inquiry
Batchno.20250304 1g In stock Shanghai Inquiry
Batchno.20260125 250mg In stock Shanghai Inquiry
Batchno.20250901 25g In stock Shanghai Inquiry
Batchno.20250225 5g In stock Shanghai, Shenzhen Inquiry
  • Product code: SSC-136674
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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 313369-25-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

313369-25-4 / ethyl (10R,15S)-4-methyl-3-oxo-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-triene-12-carboxylate

Standard CAS: 313369-25-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
313369-25-4
Multi CAS
Yes
Molecular Formula
C17H21N3O3
Molecular Weight
315.370000
Exact Mass
315.158292
InChI
InChI=1S/C17H21N3O3/c1-3-23-17(22)19-8-7-13-12(9-19)11-5-4-6-14-16(11)20(13)10-15(21)18(14)2/h4-6,12-13H,3,7-10H2,1-2H3/t12-,13-/m0/s1
InChIKey
FAGHUWIRBRMPCV-STQMWFEESA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
86.94
TPSA
53.09

LogP / Solubility

WLOGP
1.8
MLOGP
1.6
XLogP3
1.5
Consensus LogP
1.63
Log S (ESOL)
-3.05
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.44
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.32
Class (SILICOS-IT)
Poorly 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)
-3.37

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4

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