[email protected]
CAS 17257-71-5 (S)-(-)-α-Methoxy-α-(trifluoromethyl)phenylacetic Acid [Optical Resolving] molecular structure lightbox
CAS RN: 17257-71-5

(S)-(-)-α-Methoxy-α-(trifluoromethyl)phenylacetic Acid [Optical Resolving]

Product Availability

Choose a grade to view its available package options.

8 package records8 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260104 100mg In stock Shanghai, Shenzhen, Wuhan Inquiry
Batchno.20250819 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20250608 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20250124 25g In stock Shanghai Inquiry
Batchno.20251030 5g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260209 1g In stock Shanghai Inquiry
Batchno.20260505 250mg In stock Shanghai, Shandong Inquiry
Batchno.20250226 50mg In stock Shanghai, Guangdong Inquiry
  • Product code: SSC-075840
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, 0.1g, 0.25g, 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 17257-71-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 3 In Stock Beijing Inquiry
0.1g >97% 1 In Stock Hong Kong Inquiry
0.25g >97% 1 In Stock Shenzhen Inquiry
10g >97% 1 In Stock Hong Kong Inquiry
5g >97% 0 Out of Stock Hong Kong Inquiry
25g >97% 0 Out of Stock Shanghai Inquiry

17257-71-5 / (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid

Standard CAS: 17257-71-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
17257-71-5
Multi CAS
No
Molecular Formula
C10H9F3O3
Molecular Weight
234.170000
Exact Mass
234.050379
SMILES
CO[C@@](C1=CC=CC=C1)(C(=O)O)C(F)(F)F
InChI
InChI=1S/C10H9F3O3/c1-16-9(8(14)15,10(11,12)13)7-5-3-2-4-6-7/h2-6H,1H3,(H,14,15)/t9-/m0/s1
InChIKey
JJYKJUXBWFATTE-VIFPVBQESA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
48.82
TPSA
46.53

LogP / Solubility

WLOGP
2.18
MLOGP
1.92
XLogP3
2.3
Consensus LogP
2.13
Log S (ESOL)
-2.74
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.05
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.35
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)
-2.6

Drug-likeness / Medicinal Chemistry

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

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 (97.8%): 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

Customers Also Viewed

Get In Touch

Contact Us