[email protected]
CAS 1096304-38-9 5-Fluoro-2-pyrrolidinobenzoic Acid molecular structure lightbox
CAS RN: 1096304-38-9

5-Fluoro-2-pyrrolidinobenzoic Acid

Product Availability

Choose a grade to view its available package options.

3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250620 100mg In stock Tianjin Inquiry
Batchno.20250723 1g Out of stock Inquiry
Batchno.20251205 250mg In stock Tianjin Inquiry
  • Product code: SSC-010989
GET A QUOTE
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, 5g, 0.1g, 0.25g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 1096304-38-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 5 In Stock Shanghai Inquiry
5g >95% 5 In Stock Shenzhen Inquiry
0.1g >95% 3 In Stock Shenzhen Inquiry
0.25g >95% 3 In Stock Hong Kong Inquiry

1096304-38-9 / 5-fluoro-2-pyrrolidin-1-ylbenzoic acid

5-fluoro-2-pyrrolidinobenzoic acid | 5-fluoro-2-pyrrolidin-1-ylbenzoic acid | 5-Fluoro-2-(pyrrolidin-1-yl)benzoic acid

Standard CAS: 1096304-38-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1096304-38-9
Multi CAS
Yes
Molecular Formula
C11H12FNO2
Molecular Weight
209.220000
Exact Mass
209.085207
SMILES
C1CCN(C1)C2=C(C=C(C=C2)F)C(=O)O
InChI
InChI=1S/C11H12FNO2/c12-8-3-4-10(9(7-8)11(14)15)13-5-1-2-6-13/h3-4,7H,1-2,5-6H2,(H,14,15)
InChIKey
QKGQROQKQSTVAK-UHFFFAOYSA-N
Synonyms
5-fluoro-2-pyrrolidinobenzoic acid 5-fluoro-2-pyrrolidin-1-ylbenzoic acid 5-Fluoro-2-(pyrrolidin-1-yl)benzoic acid MFCD11639773 5-Fluoro-2-pyrrolidinobenzoicAcid

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

Customers Also Viewed

Get In Touch

Contact Us