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CAS 119103-15-0 1-AZABICYCLO[2.2.1]HEPTANE-4-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 119103-15-0

1-AZABICYCLO[2.2.1]HEPTANE-4-CARBOXYLIC ACID

  • Product code: SSC-019586
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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 119103-15-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

119103-15-0 / 1-azabicyclo[2.2.1]heptane-4-carboxylic acid

1-AZABICYCLO[2.2.1]HEPTANE-4-CARBOXYLIC ACID | 1-Azabicyclo[2.2.1]heptane-4-carboxylicacid | 1-?Azabicyclo[2.2.1]?heptane-?4-?carboxylic Acid

Standard CAS: 119103-15-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
119103-15-0
Multi CAS
Yes
Molecular Formula
C7H11NO2
Molecular Weight
141.170000
Exact Mass
141.078979
SMILES
C1CN2CCC1(C2)C(=O)O
InChI
InChI=1S/C7H11NO2/c9-6(10)7-1-3-8(5-7)4-2-7/h1-5H2,(H,9,10)
InChIKey
CWVQBVRGOKBTQJ-UHFFFAOYSA-N
Synonyms
1-AZABICYCLO[2.2.1]HEPTANE-4-CARBOXYLIC ACID 1-Azabicyclo[2.2.1]heptane-4-carboxylicacid 1-?Azabicyclo[2.2.1]?heptane-?4-?carboxylic Acid MFCD19199991 SCHEMBL2556850

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
35.74
TPSA
40.54

LogP / Solubility

WLOGP
0.17
MLOGP
0.14
XLogP3
-2.4
Consensus LogP
-0.7
Log S (ESOL)
-0.75
Class (ESOL)
Very soluble
Log S (Ali)
-0.84
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.84
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)
-3.46

Drug-likeness / Medicinal Chemistry

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

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