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CAS 359586-67-7 (1R,2R)-ethyl 2-((S)-1-phenylethylaMino)cyclopentanecarboxylate molecular structure lightbox
CAS RN: 359586-67-7

(1R,2R)-ethyl 2-((S)-1-phenylethylaMino)cyclopentanecarboxylate

  • Product code: SSC-143026
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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 359586-67-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

359586-67-7 / trans-ethyl (1R,2R)-2-[[(1S)-1-phenylethyl]amino]cyclopentane-1-carboxylate

Standard CAS: 359586-67-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
359586-67-7
Multi CAS
Yes
Molecular Formula
C16H23NO2
Molecular Weight
261.360000
Exact Mass
261.172879
InChI
InChI=1S/C16H23NO2/c1-3-19-16(18)14-10-7-11-15(14)17-12(2)13-8-5-4-6-9-13/h4-6,8-9,12,14-15,17H,3,7,10-11H2,1-2H3/t12-,14+,15+/m0/s1
InChIKey
XFESHQNKLZLTHP-NWANDNLSSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
75.75
TPSA
38.33

LogP / Solubility

WLOGP
3.07
MLOGP
2.71
XLogP3
3.4
Consensus LogP
3.06
Log S (ESOL)
-3.3
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.92
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.51
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.14

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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