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CAS 82087-68-1 CIS-4-CYCLOHEXYL-L-PROLINE HCL molecular structure lightbox
CAS RN: 82087-68-1

CIS-4-CYCLOHEXYL-L-PROLINE HCL

  • Product code: SSC-190309
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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
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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 82087-68-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

82087-68-1 / (2S,4R)-4-cyclohexylpyrrolidine-2-carboxylic acid;hydrochloride

Standard CAS: 82087-68-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
82087-68-1
Multi CAS
Yes
Molecular Formula
C11H20CLNO2
Molecular Weight
233.730000
Exact Mass
233.118257
InChI
InChI=1S/C11H19NO2.ClH/c13-11(14)10-6-9(7-12-10)8-4-2-1-3-5-8;/h8-10,12H,1-7H2,(H,13,14);1H/t9-,10-;/m0./s1
InChIKey
BHGFUQJUTOVQOS-IYPAPVHQSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.91
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
61.36
TPSA
49.33

LogP / Solubility

WLOGP
2.05
MLOGP
1.81
XLogP3
2.05
Consensus LogP
1.97
Log S (ESOL)
-2.45
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.96
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.12
Class (SILICOS-IT)
Poorly 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)
-2.69

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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