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CAS 1140972-31-1 Ethyl (1S,2R)-2-(Boc-amino)cyclopentanecarboxylate molecular structure lightbox
CAS RN: 1140972-31-1

Ethyl (1S,2R)-2-(Boc-amino)cyclopentanecarboxylate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250711 100mg / 250mg / 500mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-013989
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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: 0.1g, 0.25g, 1g, 5g
  • 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 1140972-31-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 0 Out of Stock Hong Kong Inquiry
0.25g >95% 0 Out of Stock Shanghai Inquiry
1g >95% 0 Out of Stock Beijing Inquiry
5g >95% 0 Out of Stock Hong Kong Inquiry

1140972-31-1 / cis-ethyl (1S,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate

ETHYL (1S,2R)-2-(BOC-AMINO)CYCLOPENTANECARBOXYLATE | MFCD16883075 | ethyl (1S,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate

Standard CAS: 1140972-31-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1140972-31-1
Multi CAS
Yes
Molecular Formula
C13H23NO4
Molecular Weight
257.330000
Exact Mass
257.162708
SMILES
CCOC(=O)[C@H]1CCC[C@H]1NC(=O)OC(C)(C)C
InChI
InChI=1S/C13H23NO4/c1-5-17-11(15)9-7-6-8-10(9)14-12(16)18-13(2,3)4/h9-10H,5-8H2,1-4H3,(H,14,16)/t9-,10+/m0/s1
InChIKey
MHYUFBHMDDIXTD-VHSXEESVSA-N
Synonyms
ETHYL (1S,2R)-2-(BOC-AMINO)CYCLOPENTANECARBOXYLATE MFCD16883075 ethyl (1S,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate Cyclopentanecarboxylic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-, ethyl ester, (1S,2R)- Ethyl (1S,2R)-2-[(tert-butoxycarbonyl)amino]cyclopentane-1-carboxylate

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.85
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
67.13
TPSA
64.63

LogP / Solubility

WLOGP
2.24
MLOGP
1.98
XLogP3
2.6
Consensus LogP
2.27
Log S (ESOL)
-2.65
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.29
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.55
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.7

Drug-likeness / Medicinal Chemistry

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

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