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CAS 1212132-12-1 diendo-3-Amino-bicyclo[2.2.1]heptane-2-carboxylic acid hydrochloride molecular structure lightbox
CAS RN: 1212132-12-1

diendo-3-Amino-bicyclo[2.2.1]heptane-2-carboxylic acid hydrochloride

  • Product code: SSC-022979
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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: 0.05g, 0.1g, 0.25g, 1g
  • Available purity: >97%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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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 1212132-12-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.05g >97% 1 In Stock Shanghai Inquiry
0.1g >97% 1 In Stock Shenzhen Inquiry
0.25g >97% 1 In Stock Shanghai Inquiry
1g >97% 0 Out of Stock Shanghai Inquiry

1212132-12-1 / (1S,2R,3S,4R)-3-aminobicyclo[2.2.1]heptane-2-carboxylic acid;hydrochloride

3-aminobicyclo[2.2.1]heptane-2-carboxylic acid hydrochloride | 3-aminobicyclo[2.2.1]heptane-2-carboxylic acid;hydrochloride | (+/-)-cis-(exo)-3-Amino-bicyclo[2.2.1]heptane-2-carboxylic acid hydrochloride

Standard CAS: 1212132-12-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1212132-12-1
Multi CAS
Yes
Molecular Formula
C8H14ClNO2
Molecular Weight
191.650000
Exact Mass
191.071306
SMILES
C1C[C@@H]2C[C@H]1[C@H]([C@H]2N)C(=O)O.Cl
InChI
InChI=1S/C8H13NO2.ClH/c9-7-5-2-1-4(3-5)6(7)8(10)11;/h4-7H,1-3,9H2,(H,10,11);1H/t4-,5+,6+,7-;/m0./s1
InChIKey
GVGHCTZKPYWADE-MBWJBUSCSA-N
Synonyms
3-aminobicyclo[2.2.1]heptane-2-carboxylic acid hydrochloride 3-aminobicyclo[2.2.1]heptane-2-carboxylic acid;hydrochloride (+/-)-cis-(exo)-3-Amino-bicyclo[2.2.1]heptane-2-carboxylic acid hydrochloride SCHEMBL4940562 GVGHCTZKPYWADE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.88
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
47.18
TPSA
63.32

LogP / Solubility

WLOGP
0.87
MLOGP
0.76
XLogP3
0.87
Consensus LogP
0.83
Log S (ESOL)
-1.51
Class (ESOL)
Soluble
Log S (Ali)
-1.76
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.74
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)
-3.27

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5.5

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