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CAS 1197193-14-8 2-Fluoro-4-pyrrolidinobenzoic Acid molecular structure lightbox
CAS RN: 1197193-14-8

2-Fluoro-4-pyrrolidinobenzoic Acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250726 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-020420
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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: 1g, 0.1g, 0.25g, 5g
  • Available purity: >97%
  • Inventory rows with stock: 6
  • 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 1197193-14-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g -- 3 In Stock Beijing Inquiry
1g >97% 3 In Stock Shenzhen Inquiry
0.1g -- 1 In Stock Shenzhen Inquiry
0.1g >97% 1 In Stock Hong Kong Inquiry
0.25g -- 1 In Stock Shenzhen Inquiry
0.25g >97% 1 In Stock Shenzhen Inquiry
5g -- 0 Out of Stock Beijing Inquiry
5g >97% 0 Out of Stock Shanghai Inquiry

1197193-14-8 / 2-fluoro-4-pyrrolidin-1-ylbenzoic acid

2-Fluoro-4-pyrrolidinobenzoic Acid | 2-Fluoro-4-(pyrrolidin-1-yl)benzoic acid | 2-fluoro-4-pyrrolidin-1-ylbenzoic acid

Standard CAS: 1197193-14-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1197193-14-8
Multi CAS
No
Molecular Formula
C11H12FNO2
Molecular Weight
209.220000
Exact Mass
209.085207
SMILES
C1CCN(C1)C2=CC(=C(C=C2)C(=O)O)F
InChI
InChI=1S/C11H12FNO2/c12-10-7-8(13-5-1-2-6-13)3-4-9(10)11(14)15/h3-4,7H,1-2,5-6H2,(H,14,15)
InChIKey
PMGPRXDYEZSZHN-UHFFFAOYSA-N
Synonyms
2-Fluoro-4-pyrrolidinobenzoic Acid 2-Fluoro-4-(pyrrolidin-1-yl)benzoic acid 2-fluoro-4-pyrrolidin-1-ylbenzoic acid 2-FLUORO-4-(1-PYRROLIDINYL)BENZOIC ACID MFCD13191611

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
54.81
TPSA
40.54

LogP / Solubility

WLOGP
2.12
MLOGP
1.87
XLogP3
2.2
Consensus LogP
2.06
Log S (ESOL)
-2.64
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.81
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.02
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)
-2.49

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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