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CAS 1031335-25-7 (1S,3R)-3-AMino-1-(Boc-aMino)cyclopentane molecular structure lightbox
CAS RN: 1031335-25-7

(1S,3R)-3-AMino-1-(Boc-aMino)cyclopentane

  • Product code: SSC-004560
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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: 0.1g, 0.25g, 1g
  • Available purity: >97%
  • Inventory rows with stock: 3
  • 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 1031335-25-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 5 In Stock Shenzhen Inquiry
0.25g >97% 5 In Stock Hong Kong Inquiry
1g >97% 5 In Stock Shenzhen Inquiry

1031335-25-7 / tert-butyl N-[(1S,3R)-3-aminocyclopentyl]carbamate

tert-butyl n-[(1s,3s)-3-aminocyclopentyl]carbamate | tert-Butyl N-((1S,3S)-3-aminocyclopentyl)carbamate | RefChem:894807

Standard CAS: 1031335-25-7 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1031335-25-7
Multi CAS
Yes
Molecular Formula
C10H20N2O2
Molecular Weight
200.280000
Exact Mass
200.152478
SMILES
CC(C)(C)OC(=O)N[C@H]1CC[C@H](C1)N
InChI
InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-8-5-4-7(11)6-8/h7-8H,4-6,11H2,1-3H3,(H,12,13)/t7-,8+/m1/s1
InChIKey
PGBVMVTUWHCOHX-SFYZADRCSA-N
Synonyms
tert-butyl n-[(1s,3s)-3-aminocyclopentyl]carbamate tert-Butyl N-((1S,3S)-3-aminocyclopentyl)carbamate RefChem:894807 863-264-3 tert-Butyl ((1S,3S)-3-aminocyclopentyl)carbamate

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.9
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
54.98
TPSA
64.35

LogP / Solubility

WLOGP
1.39
MLOGP
1.22
XLogP3
1
Consensus LogP
1.2
Log S (ESOL)
-1.89
Class (ESOL)
Soluble
Log S (Ali)
-2.21
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.24
Class (SILICOS-IT)
Moderately 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)
-2.95

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Acute Toxic
Signal
Danger
GHS Hazard Statements
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P316, P321, P330, P405, and P501

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