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CAS 1187927-49-6 2-Benzyloctahydro-1H-pyrrolo[3,4-c]pyridine Dihydrochloride molecular structure lightbox
CAS RN: 1187927-49-6

2-Benzyloctahydro-1H-pyrrolo[3,4-c]pyridine Dihydrochloride

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260203 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-018785
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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, 5g, 0.1g, 0.25g
  • 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 1187927-49-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 5 In Stock Beijing Inquiry
5g >95% 3 In Stock Hong Kong Inquiry
0.1g >95% 2 In Stock Shenzhen Inquiry
0.25g >95% 2 In Stock Shanghai Inquiry

1187927-49-6 / 2-benzyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine;dihydrochloride

2-Benzyloctahydro-1H-pyrrolo[3,4-c]pyridine Dihydrochloride | 2-Benzyl-octahydro-pyrrolo[3,4-c]pyridine dihydrochloride | 2-BENZYLOCTAHYDRO-1H-PYRROLO[3,4-C]PYRIDINE 2HCL

Standard CAS: 1187927-49-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1187927-49-6
Multi CAS
No
Molecular Formula
C14H22Cl2N2
Molecular Weight
289.200000
Exact Mass
288.116004
SMILES
C1CNCC2C1CN(C2)CC3=CC=CC=C3.Cl.Cl
InChI
InChI=1S/C14H20N2.2ClH/c1-2-4-12(5-3-1)9-16-10-13-6-7-15-8-14(13)11-16;;/h1-5,13-15H,6-11H2;2*1H
InChIKey
DLCFKBJYCLAGNU-UHFFFAOYSA-N
Synonyms
2-Benzyloctahydro-1H-pyrrolo[3,4-c]pyridine Dihydrochloride 2-Benzyl-octahydro-pyrrolo[3,4-c]pyridine dihydrochloride 2-BENZYLOCTAHYDRO-1H-PYRROLO[3,4-C]PYRIDINE 2HCL MFCD11858531 2-benzyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine;dihydrochloride

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
80.68
TPSA
15.27

LogP / Solubility

WLOGP
2.57
MLOGP
2.27
XLogP3
2.57
Consensus LogP
2.47
Log S (ESOL)
-3.37
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.79
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.91
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)
-2.66

Drug-likeness / Medicinal Chemistry

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

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