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CAS 1009075-48-2 Cis-tert-butyl3-amino-4-fluoropyrrolidine-1-carboxylate molecular structure lightbox
CAS RN: 1009075-48-2

Cis-tert-butyl3-amino-4-fluoropyrrolidine-1-carboxylate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251205 100mg / 250mg / 500mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-001656
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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, 5g, 10g, 25g
  • Available purity: >95%
  • Inventory rows with stock: 12
  • 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 1009075-48-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 1 In Stock Hong Kong Inquiry
0.1g >95% 1 In Stock Shenzhen Inquiry
0.25g -- 1 In Stock Shanghai Inquiry
0.25g >95% 1 In Stock Shanghai Inquiry
1g -- 1 In Stock Shanghai Inquiry
1g >95% 1 In Stock Shanghai Inquiry
5g -- 1 In Stock Shanghai Inquiry
5g >95% 1 In Stock Shenzhen Inquiry
10g -- 1 In Stock Hong Kong Inquiry
10g >95% 1 In Stock Hong Kong Inquiry
25g -- 1 In Stock Beijing Inquiry
25g >95% 1 In Stock Shanghai Inquiry

1009075-48-2 / tert-butyl (3R,4S)-3-amino-4-fluoropyrrolidine-1-carboxylate

tert-butyl (3S,4R)-3-amino-4-fluoropyrrolidine-1-carboxylate | DTXSID501163513 | 1,1-Dimethylethyl (3S,4R)-3-amino-4-fluoro-1-pyrrolidinecarboxylate

Standard CAS: 1009075-48-2 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1009075-48-2
Multi CAS
Yes
Molecular Formula
C9H17FN2O2
Molecular Weight
204.240000
Exact Mass
204.127406
SMILES
CC(C)(C)OC(=O)N1C[C@H]([C@H](C1)F)N
InChI
InChI=1S/C9H17FN2O2/c1-9(2,3)14-8(13)12-4-6(10)7(11)5-12/h6-7H,4-5,11H2,1-3H3/t6-,7+/m0/s1
InChIKey
DXQXHFOCKKIWJL-NKWVEPMBSA-N
Synonyms
tert-butyl (3S,4R)-3-amino-4-fluoropyrrolidine-1-carboxylate DTXSID501163513 1,1-Dimethylethyl (3S,4R)-3-amino-4-fluoro-1-pyrrolidinecarboxylate RefChem:410007 DTXCID701594966

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.89
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
50.68
TPSA
55.56

LogP / Solubility

WLOGP
0.9
MLOGP
0.79
XLogP3
0.4
Consensus LogP
0.7
Log S (ESOL)
-1.67
Class (ESOL)
Soluble
Log S (Ali)
-1.89
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.74
Class (SILICOS-IT)
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)
-3.33

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)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (66.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H319 (33.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (33.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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