[email protected]
CAS 119102-22-6 1-Azabicyclo[2.2.1]heptane-4-carboxylic acid molecular structure lightbox
CAS RN: 119102-22-6

1-Azabicyclo[2.2.1]heptane-4-carboxylic acid

  • Product code: SSC-019577
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: 2
  • 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 119102-22-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Shenzhen Inquiry
0.25g >95% 1 In Stock Beijing Inquiry
1g >95% 0 Out of Stock Shenzhen Inquiry

119102-22-6 / methyl 1-azabicyclo[2.2.1]heptane-4-carboxylate

methyl 1-azabicyclo[2.2.1]heptane-4-carboxylate | CHEMBL330709 | SCHEMBL3318136

Standard CAS: 119102-22-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
119102-22-6
Multi CAS
Yes
Molecular Formula
C8H13NO2
Molecular Weight
155.190000
Exact Mass
155.094629
SMILES
COC(=O)C12CCN(C1)CC2
InChI
InChI=1S/C8H13NO2/c1-11-7(10)8-2-4-9(6-8)5-3-8/h2-6H2,1H3
InChIKey
NHXCMSNCBQRPFQ-UHFFFAOYSA-N
Synonyms
methyl 1-azabicyclo[2.2.1]heptane-4-carboxylate CHEMBL330709 SCHEMBL3318136 NHXCMSNCBQRPFQ-UHFFFAOYSA-N BDBM50229533

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.88
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
40.12
TPSA
29.54

LogP / Solubility

WLOGP
0.26
MLOGP
0.22
XLogP3
0.2
Consensus LogP
0.23
Log S (ESOL)
-0.9
Class (ESOL)
Very soluble
Log S (Ali)
-1.02
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1
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)
-3.49

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

Customers Also Viewed

Get In Touch

Contact Us