[email protected]
CAS 1363378-09-9 (3AS,7aS)-2-Methyl-octahydro-3H-pyrrolo[3,4-c]pyridin-3-one molecular structure lightbox
CAS RN: 1363378-09-9

(3AS,7aS)-2-Methyl-octahydro-3H-pyrrolo[3,4-c]pyridin-3-one

  • Product code: SSC-045268
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: 1g, 0.1g, 0.25g
  • Available purity: >95%
  • Inventory rows with stock: 1
  • 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 1363378-09-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 1 In Stock Shenzhen Inquiry
0.1g >95% 0 Out of Stock Shenzhen Inquiry
0.25g >95% 0 Out of Stock Beijing Inquiry

1363378-09-9 / (3aS,7aS)-2-methyl-3a,4,5,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-3-one

Standard CAS: 1363378-09-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1363378-09-9
Multi CAS
No
Molecular Formula
C8H14N2O
Molecular Weight
154.210000
Exact Mass
154.110613
SMILES
CN1C[C@H]2CCNC[C@H]2C1=O
InChI
InChI=1S/C8H14N2O/c1-10-5-6-2-3-9-4-7(6)8(10)11/h6-7,9H,2-5H2,1H3/t6-,7-/m1/s1
InChIKey
BVBFTJUIOLVKRS-RNFRBKRXSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.88
H-bond acceptors
2
H-bond donors
1
Molar refractivity
42.1
TPSA
32.34

LogP / Solubility

WLOGP
-0.32
MLOGP
-0.28
XLogP3
-0.6
Consensus LogP
-0.4
Log S (ESOL)
-0.6
Class (ESOL)
Very soluble
Log S (Ali)
-0.6
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.4
Class (SILICOS-IT)
Very 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)
-3.88

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