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CAS 1803598-04-0 5-methyl-octahydro-1H-pyrrolo[3,4-c]pyridine dihydrochloride molecular structure lightbox
CAS RN: 1803598-04-0

5-methyl-octahydro-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.20250906 100mg / 250mg / 500mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-080964
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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 1803598-04-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1803598-04-0 / 5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine;dihydrochloride

Standard CAS: 1803598-04-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1803598-04-0
Multi CAS
No
Molecular Formula
C8H18Cl2N2
Molecular Weight
213.150000
Exact Mass
212.084704
SMILES
CN1CCC2CNCC2C1.Cl.Cl
InChI
InChI=1S/C8H16N2.2ClH/c1-10-3-2-7-4-9-5-8(7)6-10;;/h7-9H,2-6H2,1H3;2*1H
InChIKey
XVKMGZXKEKSORE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
56.46
TPSA
15.27

LogP / Solubility

WLOGP
1
MLOGP
0.88
XLogP3
1
Consensus LogP
0.96
Log S (ESOL)
-1.79
Class (ESOL)
Soluble
Log S (Ali)
-2.03
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.88
Class (SILICOS-IT)
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)
-3.31

Drug-likeness / Medicinal Chemistry

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

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