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CAS 117391-51-2 3-Amino-3-(3-fluorophenyl)propanoic acid molecular structure lightbox
CAS RN: 117391-51-2

3-Amino-3-(3-fluorophenyl)propanoic acid

Product Availability

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4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250907 1g In stock Inquiry
Batchno.20251208 25g In stock Inquiry
Batchno.20250913 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251011 1g / 5g / 25g Confirm by inquiry Shandong 5-7 business days Inquiry
  • Product code: SSC-017231
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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: 10g, 5g, 1g, 25g
  • Available purity: ≥97%
  • Inventory rows with stock: 3
  • 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 117391-51-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥97% 5 In Stock Shanghai Inquiry
5g ≥97% 4 In Stock Hong Kong Inquiry
1g ≥97% 1 In Stock Shenzhen Inquiry
25g ≥97% 0 Out of Stock Shanghai Inquiry

117391-51-2 / 3-amino-3-(3-fluorophenyl)propanoic acid

3-amino-3-(3-fluorophenyl)propanoic acid | MFCD00764457 | BENZENEPROPANOIC ACID, BETA-AMINO-3-FLUORO-

Standard CAS: 117391-51-2 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
117391-51-2
Multi CAS
Yes
Molecular Formula
C9H10FNO2
Molecular Weight
183.180000
Exact Mass
183.069557
SMILES
C1=CC(=CC(=C1)F)C(CC(=O)O)N
InChI
InChI=1S/C9H10FNO2/c10-7-3-1-2-6(4-7)8(11)5-9(12)13/h1-4,8H,5,11H2,(H,12,13)
InChIKey
GZNJUJNKZBHINS-UHFFFAOYSA-N
Synonyms
3-amino-3-(3-fluorophenyl)propanoic acid MFCD00764457 BENZENEPROPANOIC ACID, BETA-AMINO-3-FLUORO- 3-(3-fluoro-phenyl)-dl-beta-alanine Oprea1_544637

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
45.58
TPSA
63.32

LogP / Solubility

WLOGP
1.3
MLOGP
1.14
XLogP3
-1.9
Consensus LogP
0.18
Log S (ESOL)
-1.94
Class (ESOL)
Soluble
Log S (Ali)
-2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.29
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)
-2.91

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (100%): 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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