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CAS 1001754-59-1 1-(TERT-BUTOXYCARBONYL)-3-FLUOROPYRROLIDINE-3-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 1001754-59-1

1-(TERT-BUTOXYCARBONYL)-3-FLUOROPYRROLIDINE-3-CARBOXYLIC ACID

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260228 100mg / 250mg / 1g Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: SSC-000580
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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 1001754-59-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Beijing Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

1001754-59-1 / 3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid

1-[(tert-butoxy)carbonyl]-3-fluoropyrrolidine-3-carboxylic acid | 1-((tert-butoxy)carbonyl)-3-fluoropyrrolidine-3-carboxylic acid | RefChem:419010

Standard CAS: 1001754-59-1 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1001754-59-1
Multi CAS
Yes
Molecular Formula
C10H16FNO4
Molecular Weight
233.240000
Exact Mass
233.106336
SMILES
CC(C)(C)OC(=O)N1CCC(C1)(C(=O)O)F
InChI
InChI=1S/C10H16FNO4/c1-9(2,3)16-8(15)12-5-4-10(11,6-12)7(13)14/h4-6H2,1-3H3,(H,13,14)
InChIKey
YVMHYDQOUZWQQA-UHFFFAOYSA-N
Synonyms
1-[(tert-butoxy)carbonyl]-3-fluoropyrrolidine-3-carboxylic acid 1-((tert-butoxy)carbonyl)-3-fluoropyrrolidine-3-carboxylic acid RefChem:419010 832-221-0 1-(TERT-BUTOXYCARBONYL)-3-FLUOROPYRROLIDINE-3-CARBOXYLIC ACID

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
53.9
TPSA
66.84

LogP / Solubility

WLOGP
1.42
MLOGP
1.25
XLogP3
1
Consensus LogP
1.22
Log S (ESOL)
-2.11
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.5
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.47
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)
-3.13

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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