[email protected]
CAS 171754-02-2 (3S)-2-AZABICYCLO(2.2.1)HEPTANE-3-CARBO molecular structure lightbox
CAS RN: 171754-02-2

(3S)-2-AZABICYCLO(2.2.1)HEPTANE-3-CARBO

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251214 100mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-075599
GET A QUOTE
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
Request Bulk Quote

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 171754-02-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

171754-02-2 / (1R,3S,4S)-2-azabicyclo[2.2.1]heptane-3-carboxylic acid

Standard CAS: 171754-02-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
171754-02-2
Multi CAS
No
Molecular Formula
C7H11NO2
Molecular Weight
141.170000
Exact Mass
141.078979
SMILES
C1C[C@@H]2C[C@H]1[C@H](N2)C(=O)O
InChI
InChI=1S/C7H11NO2/c9-7(10)6-4-1-2-5(3-4)8-6/h4-6,8H,1-3H2,(H,9,10)/t4-,5+,6-/m0/s1
InChIKey
BMVVXSIHLQYXJJ-JKUQZMGJSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
35.69
TPSA
49.33

LogP / Solubility

WLOGP
0.21
MLOGP
0.18
XLogP3
-1.9
Consensus LogP
-0.5
Log S (ESOL)
-0.78
Class (ESOL)
Very soluble
Log S (Ali)
-0.87
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.87
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)
-3.43

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501

Customers Also Viewed

Get In Touch

Contact Us