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CAS 109966-30-5 6-BENZYL-6,7-DIHYDRO-5H-PYRROLO[3,4-B]PYRIDINE molecular structure lightbox
CAS RN: 109966-30-5

6-BENZYL-6,7-DIHYDRO-5H-PYRROLO[3,4-B]PYRIDINE

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250529 1g In stock Shanghai, Shandong Inquiry
Batchno.20260224 250mg In stock Shanghai Inquiry
Batchno.20250311 5g In stock Shandong Inquiry
  • Product code: SSC-011221
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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: 0.1g, 0.25g, 1g, 5g, 10g, 25g
  • Available purity: >95%
  • Inventory rows with stock: 8
  • 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 109966-30-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 1 In Stock Beijing Inquiry
0.1g >95% 1 In Stock Shenzhen Inquiry
0.25g -- 1 In Stock Shenzhen Inquiry
0.25g >95% 1 In Stock Hong Kong Inquiry
1g -- 1 In Stock Hong Kong Inquiry
1g >95% 1 In Stock Shenzhen Inquiry
5g -- 1 In Stock Hong Kong Inquiry
5g >95% 1 In Stock Shanghai Inquiry
10g -- 0 Out of Stock Beijing Inquiry
10g >95% 0 Out of Stock Hong Kong Inquiry
25g -- 0 Out of Stock Hong Kong Inquiry
25g >95% 0 Out of Stock Shanghai Inquiry

109966-30-5 / 6-benzyl-5,7-dihydropyrrolo[3,4-b]pyridine

6-Benzyl-6,7-dihydro-5H-pyrrolo[3,4-B]pyridine | 6-benzyl-5,7-dihydropyrrolo[3,4-b]pyridine | MFCD06858493

Standard CAS: 109966-30-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
109966-30-5
Multi CAS
Yes
Molecular Formula
C14H14N2
Molecular Weight
210.270000
Exact Mass
210.115698
SMILES
C1C2=C(CN1CC3=CC=CC=C3)N=CC=C2
InChI
InChI=1S/C14H14N2/c1-2-5-12(6-3-1)9-16-10-13-7-4-8-15-14(13)11-16/h1-8H,9-11H2
InChIKey
DNVMWHGYSCHZGW-UHFFFAOYSA-N
Synonyms
6-Benzyl-6,7-dihydro-5H-pyrrolo[3,4-B]pyridine 6-benzyl-5,7-dihydropyrrolo[3,4-b]pyridine MFCD06858493 6-benzyl-5H,6H,7H-pyrrolo[3,4-b]pyridine SCHEMBL3715438

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.21
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
63.63
TPSA
16.13

LogP / Solubility

WLOGP
2.6
MLOGP
2.29
XLogP3
1.8
Consensus LogP
2.23
Log S (ESOL)
-3.2
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.16
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.42
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.16

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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