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CAS 121250-04-2 (R)-3,3,3-TRIFLUORO-2-HYDROXYPROPIONIC ACID molecular structure lightbox
CAS RN: 121250-04-2

(R)-3,3,3-TRIFLUORO-2-HYDROXYPROPIONIC ACID

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251111 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-023061
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 121250-04-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

121250-04-2 / (2R)-3,3,3-trifluoro-2-hydroxypropanoic acid

3,3,3-trifluoro-2-hydroxypropanoic acid | RefChem:485060 | 633-249-4

Standard CAS: 121250-04-2 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
121250-04-2
Multi CAS
Yes
Molecular Formula
C3H3F3O3
Molecular Weight
144.050000
Exact Mass
144.003428
SMILES
[C@@H](C(=O)O)(C(F)(F)F)O
InChI
InChI=1S/C3H3F3O3/c4-3(5,6)1(7)2(8)9/h1,7H,(H,8,9)/t1-/m1/s1
InChIKey
BVKGUTLIPHZYCX-PVQJCKRUSA-N
Synonyms
3,3,3-trifluoro-2-hydroxypropanoic acid RefChem:485060 633-249-4 3,3,3-Trifluorolactic acid TRIFLUOROLACTIC ACID

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
19.7
TPSA
57.53

LogP / Solubility

WLOGP
-0.01
MLOGP
-0.01
XLogP3
0.3
Consensus LogP
0.09
Log S (ESOL)
-0.66
Class (ESOL)
Very soluble
Log S (Ali)
-0.74
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.71
Class (SILICOS-IT)
Very 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)
-3.6

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)
Corrosive
Signal
Danger
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501

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