[email protected]
CAS 1141669-88-6 6-Ethyloctahydropyrrolo[3,4-b]pyridine molecular structure lightbox
CAS RN: 1141669-88-6

6-Ethyloctahydropyrrolo[3,4-b]pyridine

  • Product code: SSC-014045
GET A QUOTE
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
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 1141669-88-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 5 In Stock Hong Kong Inquiry
0.25g ≥95% 5 In Stock Beijing Inquiry
1g ≥95% 5 In Stock Shanghai Inquiry
5g ≥95% 5 In Stock Beijing Inquiry

1141669-88-6 / 6-ethyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine

6-ETHYLOCTAHYDROPYRROLO[3,4-B]PYRIDINE | 6-Ethyloctahydro-1H-pyrrolo[3,4-b]pyridine | MFCD12198849

Standard CAS: 1141669-88-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1141669-88-6
Multi CAS
No
Molecular Formula
C9H18N2
Molecular Weight
154.250000
Exact Mass
154.146999
SMILES
CCN1CC2CCCNC2C1
InChI
InChI=1S/C9H18N2/c1-2-11-6-8-4-3-5-10-9(8)7-11/h8-10H,2-7H2,1H3
InChIKey
FZQMPENIEFPXAB-UHFFFAOYSA-N
Synonyms
6-ETHYLOCTAHYDROPYRROLO[3,4-B]PYRIDINE 6-Ethyloctahydro-1H-pyrrolo[3,4-b]pyridine MFCD12198849 6-ethyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine 1H-Pyrrolo[3,4-b]pyridine, 6-ethyloctahydro-

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
46.63
TPSA
15.27

LogP / Solubility

WLOGP
0.69
MLOGP
0.6
XLogP3
0.8
Consensus LogP
0.7
Log S (ESOL)
-1.17
Class (ESOL)
Soluble
Log S (Ali)
-1.32
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.36
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)
-3.17

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us