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CAS 1140972-27-5 Ethyl (1R,2S)-2-(Cbz-aMino)cyclopentanecarboxylate molecular structure lightbox
CAS RN: 1140972-27-5

Ethyl (1R,2S)-2-(Cbz-aMino)cyclopentanecarboxylate

  • Product code: SSC-013987
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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: 1g, 0.1g, 0.25g
  • Available purity: >95%
  • 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 1140972-27-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 3 In Stock Beijing Inquiry
0.1g >95% 1 In Stock Beijing Inquiry
0.25g >95% 0 Out of Stock Shanghai Inquiry

1140972-27-5 / cis-ethyl (1R,2S)-2-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate

Ethyl (1R,2S)-2-(Cbz-amino)cyclopentanecarboxylate | MFCD26404521 | Cyclopentanecarboxylic acid, 2-[[(phenylmethoxy)carbonyl]amino]-, ethyl ester, (1R,2S)-

Standard CAS: 1140972-27-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1140972-27-5
Multi CAS
Yes
Molecular Formula
C16H21NO4
Molecular Weight
291.340000
Exact Mass
291.147058
SMILES
CCOC(=O)[C@@H]1CCC[C@@H]1NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C16H21NO4/c1-2-20-15(18)13-9-6-10-14(13)17-16(19)21-11-12-7-4-3-5-8-12/h3-5,7-8,13-14H,2,6,9-11H2,1H3,(H,17,19)/t13-,14+/m1/s1
InChIKey
HHLVBYDRFDRWTE-KGLIPLIRSA-N
Synonyms
Ethyl (1R,2S)-2-(Cbz-amino)cyclopentanecarboxylate MFCD26404521 Cyclopentanecarboxylic acid, 2-[[(phenylmethoxy)carbonyl]amino]-, ethyl ester, (1R,2S)- ethyl (1R,2S)-2-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate Ethyl(1R,2S)-2-(Cbz-amino)cyclopentanecarboxylate

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
77.52
TPSA
64.63

LogP / Solubility

WLOGP
2.64
MLOGP
2.34
XLogP3
3.1
Consensus LogP
2.69
Log S (ESOL)
-3.19
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.86
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.35
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)
-2.62

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5

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