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CAS 77745-25-6 (1S,4R)-Methyl 4-aminocyclopent-2-enecarboxylate hydrochloride molecular structure lightbox
CAS RN: 77745-25-6

(1S,4R)-Methyl 4-aminocyclopent-2-enecarboxylate hydrochloride

  • Product code: SSC-187260
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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, 1g, 0.25g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • 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 77745-25-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 5 In Stock Beijing Inquiry
1g ≥95% 4 In Stock Beijing Inquiry
0.25g ≥95% 2 In Stock Beijing Inquiry
5g ≥95% 1 In Stock Shanghai Inquiry

77745-25-6 / methyl (1R,4S)-4-aminocyclopent-2-ene-1-carboxylate;hydrochloride

Standard CAS: 77745-25-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
77745-25-6
Multi CAS
Yes
Molecular Formula
C7H12CLNO2
Molecular Weight
177.630000
Exact Mass
177.055656
InChI
InChI=1S/C7H11NO2.ClH/c1-10-7(9)5-2-3-6(8)4-5;/h2-3,5-6H,4,8H2,1H3;1H/t5-,6+;/m0./s1
InChIKey
SWYRZYIXFKDJEK-RIHPBJNCSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.57
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
44.49
TPSA
52.32

LogP / Solubility

WLOGP
0.48
MLOGP
0.42
XLogP3
0.48
Consensus LogP
0.46
Log S (ESOL)
-1.18
Class (ESOL)
Soluble
Log S (Ali)
-1.37
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.34
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)
-3.46

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
2.5

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