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CAS 204913-01-9 1-[(3S,1R)-3-N-BOC-aminocyclopentyl]-1-ethanone molecular structure lightbox
CAS RN: 204913-01-9

1-[(3S,1R)-3-N-BOC-aminocyclopentyl]-1-ethanone

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251020 100mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-096414
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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: ≥97%
  • 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 204913-01-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shanghai Inquiry

204913-01-9 / tert-butyl N-[(1S,3R)-3-acetylcyclopentyl]carbamate

Standard CAS: 204913-01-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
204913-01-9
Multi CAS
No
Molecular Formula
C12H21NO3
Molecular Weight
227.300000
Exact Mass
227.152144
SMILES
CC(=O)[C@@H]1CC[C@@H](C1)NC(=O)OC(C)(C)C
InChI
InChI=1S/C12H21NO3/c1-8(14)9-5-6-10(7-9)13-11(15)16-12(2,3)4/h9-10H,5-7H2,1-4H3,(H,13,15)/t9-,10+/m1/s1
InChIKey
GUXURKSRCUGCCA-ZJUUUORDSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.83
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
61.18
TPSA
55.4

LogP / Solubility

WLOGP
2.27
MLOGP
2
XLogP3
1.5
Consensus LogP
1.92
Log S (ESOL)
-2.55
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.06
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.26
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)
-2.5

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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