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CAS 677757-34-5 (1R,2R,3S,4S)-(-)-3-AMINOBICYCLO[2.2.1]HEPT-5-ENE-2-CARBOXYLIC ACID HYDROCHLORIDE molecular structure lightbox
CAS RN: 677757-34-5

(1R,2R,3S,4S)-(-)-3-AMINOBICYCLO[2.2.1]HEPT-5-ENE-2-CARBOXYLIC ACID HYDROCHLORIDE

  • Product code: SSC-177537
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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: 0.1g, 0.25g, 1g
  • Available purity: >97%
  • Inventory rows with stock: 2
  • 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 677757-34-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Beijing Inquiry
0.25g >97% 1 In Stock Beijing Inquiry
1g >97% 0 Out of Stock Shanghai Inquiry

677757-34-5 / 3-aminobicyclo[2.2.1]hept-5-ene-2-carboxylic acid;hydrochloride

Standard CAS: 677757-34-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
677757-34-5
Multi CAS
Yes
Molecular Formula
C8H12CLNO2
Molecular Weight
189.640000
Exact Mass
189.055656
InChI
InChI=1S/C8H11NO2.ClH/c9-7-5-2-1-4(3-5)6(7)8(10)11;/h1-2,4-7H,3,9H2,(H,10,11);1H/t4-,5+,6+,7-;/m0./s1
InChIKey
JZBHUJIMERBHKY-MBWJBUSCSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.62
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
47.09
TPSA
63.32

LogP / Solubility

WLOGP
0.64
MLOGP
0.56
XLogP3
0.64
Consensus LogP
0.61
Log S (ESOL)
-1.35
Class (ESOL)
Soluble
Log S (Ali)
-1.58
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.55
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)
-3.42

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5

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