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CAS 1212489-75-2 (1R)-2-azabicyclo[2.2.1]heptane-4-carboxylic acid hydrochloride molecular structure lightbox
CAS RN: 1212489-75-2

(1R)-2-azabicyclo[2.2.1]heptane-4-carboxylic acid hydrochloride

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250523 100mg Out of stock 1 business days Inquiry
  • Product code: starshine_CAS1212489-75-2
  • Purity/Analytical Methods: >99.0%
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1212489-75-2 / (1R)-2-azabicyclo[2.2.1]heptane-4-carboxylic acid;hydrochloride

(1R)-2-azabicyclo[2.2.1]heptane-4-carboxylic acid hydrochloride | (1R)-2-azabicyclo[2.2.1]heptane-4-carboxylic acid;hydrochloride | MFCD19442677

Standard CAS: 1212489-75-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1212489-75-2
Multi CAS
Yes
Molecular Formula
C7H12ClNO2
Molecular Weight
177.630000
Exact Mass
177.055656
SMILES
C1CC2(C[C@@H]1NC2)C(=O)O.Cl
InChI
InChI=1S/C7H11NO2.ClH/c9-6(10)7-2-1-5(3-7)8-4-7;/h5,8H,1-4H2,(H,9,10);1H/t5-,7?;/m1./s1
InChIKey
XWVAMMMWNZVEAH-ARDPDPPTSA-N
Synonyms
(1R)-2-azabicyclo[2.2.1]heptane-4-carboxylic acid hydrochloride (1R)-2-azabicyclo[2.2.1]heptane-4-carboxylic acid;hydrochloride MFCD19442677 (1R)-2-azabicyclo[2.2.1]heptane-4-carboxylic acid HCl PS-18036

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
42.96
TPSA
49.33

LogP / Solubility

WLOGP
0.63
MLOGP
0.56
XLogP3
0.63
Consensus LogP
0.61
Log S (ESOL)
-1.28
Class (ESOL)
Soluble
Log S (Ali)
-1.47
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.46
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)
-3.35

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5

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