[email protected]
CAS 21735-63-7 3-Phenyl-3-(2,2,2-trifluoroacetaMido)propanoic Acid molecular structure lightbox
CAS RN: 21735-63-7

3-Phenyl-3-(2,2,2-trifluoroacetaMido)propanoic Acid

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260529 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-104870
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: 0.1g, 0.25g, 1g, 10g, 5g, 25g
  • Available purity: >97%
  • 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 21735-63-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Shanghai Inquiry
0.25g >97% 1 In Stock Beijing Inquiry
1g >97% 1 In Stock Shanghai Inquiry
10g >97% 1 In Stock Hong Kong Inquiry
5g >97% 0 Out of Stock Shenzhen Inquiry
25g >97% 0 Out of Stock Shanghai Inquiry

21735-63-7 / 3-phenyl-3-[(2,2,2-trifluoroacetyl)amino]propanoic acid

Standard CAS: 21735-63-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
21735-63-7
Multi CAS
No
Molecular Formula
C11H10F3NO3
Molecular Weight
261.200000
Exact Mass
261.061278
SMILES
C1=CC=C(C=C1)C(CC(=O)O)NC(=O)C(F)(F)F
InChI
InChI=1S/C11H10F3NO3/c12-11(13,14)10(18)15-8(6-9(16)17)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,15,18)(H,16,17)
InChIKey
SFOGCHRKQFVQON-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
55.63
TPSA
66.4

LogP / Solubility

WLOGP
1.88
MLOGP
1.66
XLogP3
1.7
Consensus LogP
1.75
Log S (ESOL)
-2.63
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.06
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.4
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.98

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us