[email protected]
CAS 236406-56-7 TERT-BUTYL HEXAHYDRO-1H-PYRROLO[3,4-C]PYRIDINE-2(3H)-CARBOXYLATE molecular structure lightbox
CAS RN: 236406-56-7

TERT-BUTYL HEXAHYDRO-1H-PYRROLO[3,4-C]PYRIDINE-2(3H)-CARBOXYLATE

Product Availability

Choose a grade to view its available package options.

2 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250526 1g In stock Shanghai Inquiry
Batchno.20260414 5g Out of stock 3-5 business days Inquiry
  • Product code: SSC-115068
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
  • Available purity: >95%
  • Inventory rows with stock: 3
  • 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 236406-56-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 2 In Stock Shanghai Inquiry
0.25g >95% 2 In Stock Beijing Inquiry
1g >95% 2 In Stock Hong Kong Inquiry

236406-56-7 / tert-butyl (3aR,7aR)-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine-2-carboxylate

Standard CAS: 236406-56-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
236406-56-7
Multi CAS
No
Molecular Formula
C12H22N2O2
Molecular Weight
226.320000
Exact Mass
226.168128
SMILES
CC(C)(C)OC(=O)N1C[C@@H]2CCNC[C@@H]2C1
InChI
InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-7-9-4-5-13-6-10(9)8-14/h9-10,13H,4-8H2,1-3H3/t9-,10+/m0/s1
InChIKey
CQJSNQCNXVJXDM-VHSXEESVSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.92
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
62.27
TPSA
41.57

LogP / Solubility

WLOGP
1.46
MLOGP
1.29
XLogP3
1.1
Consensus LogP
1.28
Log S (ESOL)
-2.16
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.47
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.35
Class (SILICOS-IT)
Moderately 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)
-3.06

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us