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CAS 1143504-73-7 (2R,4S)-4-Fluoropyrrolidine-2-carboxylic acid hydrochloride molecular structure lightbox
CAS RN: 1143504-73-7

(2R,4S)-4-Fluoropyrrolidine-2-carboxylic acid hydrochloride

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251018 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1143504-73-7
  • Purity/Analytical Methods: >99.0%
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1143504-73-7 / (2R,4S)-4-fluoropyrrolidine-2-carboxylic acid;hydrochloride

C5H9ClFNO2 | trans-4-Fluoropyrrolidine-2-carboxylic acid hydrochloride | SCHEMBL29049931

Standard CAS: 1143504-73-7 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1143504-73-7
Multi CAS
Yes
Molecular Formula
C5H9ClFNO2
Molecular Weight
169.580000
Exact Mass
169.030584
SMILES
C1[C@@H](CN[C@H]1C(=O)O)F.Cl
InChI
InChI=1S/C5H8FNO2.ClH/c6-3-1-4(5(8)9)7-2-3;/h3-4,7H,1-2H2,(H,8,9);1H/t3-,4+;/m0./s1
InChIKey
UCWWFZQRLUCRFQ-RFKZQXLXSA-N
Synonyms
C5H9ClFNO2 trans-4-Fluoropyrrolidine-2-carboxylic acid hydrochloride SCHEMBL29049931 TVB50473 SB11280

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
36.19
TPSA
49.33

LogP / Solubility

WLOGP
0.19
MLOGP
0.17
XLogP3
0.19
Consensus LogP
0.18
Log S (ESOL)
-0.95
Class (ESOL)
Very soluble
Log S (Ali)
-1.09
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.04
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)
-3.62

Drug-likeness / Medicinal Chemistry

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

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] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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