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CAS 1076198-93-0 6-Benzyl-5,7-dioxo-hexahydropyrrolo[3,4-b]pyridine molecular structure lightbox
CAS RN: 1076198-93-0

6-Benzyl-5,7-dioxo-hexahydropyrrolo[3,4-b]pyridine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251011 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-009118
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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, 0.1g, 0.25g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • 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 1076198-93-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 3 In Stock Hong Kong Inquiry
0.1g ≥95% 1 In Stock Shanghai Inquiry
0.25g ≥95% 1 In Stock Shanghai Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

1076198-93-0 / 6-benzyl-1,2,3,4-tetrahydropyrrolo[3,4-b]pyridine-5,7-dione

6-BENZYL-1,2,3,4-TETRAHYDRO-6H-PYRROLO[3,4-B]PYRIDINE-5,7-DIONE | 6-Benzyl-5,7-dioxo-hexahydropyrrolo[3,4-b]pyridine | MFCD09907821

Standard CAS: 1076198-93-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1076198-93-0
Multi CAS
Yes
Molecular Formula
C14H14N2O2
Molecular Weight
242.270000
Exact Mass
242.105528
SMILES
C1CC2=C(C(=O)N(C2=O)CC3=CC=CC=C3)NC1
InChI
InChI=1S/C14H14N2O2/c17-13-11-7-4-8-15-12(11)14(18)16(13)9-10-5-2-1-3-6-10/h1-3,5-6,15H,4,7-9H2
InChIKey
JJFNYKMZELJLBL-UHFFFAOYSA-N
Synonyms
6-BENZYL-1,2,3,4-TETRAHYDRO-6H-PYRROLO[3,4-B]PYRIDINE-5,7-DIONE 6-Benzyl-5,7-dioxo-hexahydropyrrolo[3,4-b]pyridine MFCD09907821 6-benzyl-1,2,3,4-tetrahydropyrrolo[3,4-b]pyridine-5,7-dione 6-Benzyl-1,2,3,4-tetrahydro-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
66.26
TPSA
49.41

LogP / Solubility

WLOGP
1.19
MLOGP
1.05
XLogP3
1.6
Consensus LogP
1.28
Log S (ESOL)
-2.21
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.41
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.46
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)
-3.35

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Applications of CAS 1076198-93-0

This compound is commonly used in general chemistry research and laboratory applications. Starshine Chemical supplies CAS 1076198-93-0 for R&D and pilot-scale use, with flexible pack sizes and purity grades available.

Storage & Handling

Storage: Keep the container tightly closed in a cool, dry and well-ventilated place. For detailed hazard, storage and transport information, request the SDS (Safety Data Sheet) with your inquiry.

Quotation & Packaging

Prices are confirmed by inquiry. Request a quote for current pricing, minimum order quantity (MOQ) and lead time. The pack sizes listed on this page are reference options; custom pack sizes and bulk quantities are available on request.

Quality & Compliance

Specifications and purity shown on this page are based on batch records. A Certificate of Analysis (COA) is available on request. For research and further manufacturing use only — not for direct human or therapeutic use.

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