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CAS 2180068-05-5 2,3,4,6,7,8,9,10-Octahydro-1H-cyclohepta[4,5]pyrrolo[1,2-a]pyrazin-1-one molecular structure lightbox
CAS RN: 2180068-05-5

2,3,4,6,7,8,9,10-Octahydro-1H-cyclohepta[4,5]pyrrolo[1,2-a]pyrazin-1-one

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260112 100mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-105175
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 0.25g, 5g, 0.1g, 10g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 2180068-05-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 5 In Stock Shenzhen Inquiry
0.25g ≥95% 4 In Stock Shanghai Inquiry
5g ≥95% 4 In Stock Hong Kong Inquiry
0.1g ≥95% 1 In Stock Beijing Inquiry
10g ≥95% 0 Out of Stock Beijing Inquiry

2180068-05-5 / 2,5-diazatricyclo[7.5.0.02,7]tetradeca-1(9),7-dien-6-one

Standard CAS: 2180068-05-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2180068-05-5
Multi CAS
No
Molecular Formula
C12H16N2O
Molecular Weight
204.270000
Exact Mass
204.126263
SMILES
C1CCC2=C(CC1)N3CCNC(=O)C3=C2
InChI
InChI=1S/C12H16N2O/c15-12-11-8-9-4-2-1-3-5-10(9)14(11)7-6-13-12/h8H,1-7H2,(H,13,15)
InChIKey
JNGIQBKGSQRVOE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
5
Fraction Csp3
0.58
H-bond acceptors
2
H-bond donors
1
Molar refractivity
58.02
TPSA
34.03

LogP / Solubility

WLOGP
1.5
MLOGP
1.32
XLogP3
1.8
Consensus LogP
1.54
Log S (ESOL)
-2.3
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.32
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.23
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)
-2.9

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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