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CAS 1154870-60-6 tert-butyl ((1S,3R)-3-fluorocyclopentyl)carbamate molecular structure lightbox
CAS RN: 1154870-60-6

tert-butyl ((1S,3R)-3-fluorocyclopentyl)carbamate

  • Product code: SSC-015247
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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: 0.25g
  • 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 1154870-60-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

1154870-60-6 / tert-butyl N-[(1S,3R)-3-fluorocyclopentyl]carbamate

tert-Butyl (3-fluorocyclopentyl)carbamate | tert-butyl N-(3-fluorocyclopentyl)carbamate | N-t-BOC-3-Fluorocyclopentylamine

Standard CAS: 1154870-60-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1154870-60-6
Multi CAS
Yes
Molecular Formula
C10H18FNO2
Molecular Weight
203.250000
Exact Mass
203.132157
SMILES
CC(C)(C)OC(=O)N[C@H]1CC[C@H](C1)F
InChI
InChI=1S/C10H18FNO2/c1-10(2,3)14-9(13)12-8-5-4-7(11)6-8/h7-8H,4-6H2,1-3H3,(H,12,13)/t7-,8+/m1/s1
InChIKey
BBJACCZSJXCXSE-SFYZADRCSA-N
Synonyms
tert-Butyl (3-fluorocyclopentyl)carbamate tert-butyl N-(3-fluorocyclopentyl)carbamate N-t-BOC-3-Fluorocyclopentylamine MFCD16657109 tert-butyl N-[trans-3-fluorocyclopentyl]carbamate

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.9
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
51.9
TPSA
38.33

LogP / Solubility

WLOGP
2.4
MLOGP
2.11
XLogP3
2.3
Consensus LogP
2.27
Log S (ESOL)
-2.55
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.96
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.09
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)
-2.25

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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