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CAS 1932644-89-7 D-Alanine, N-[(1,1-dimethylethoxy)carbonyl]-3,3,3-trifluoro- molecular structure lightbox
CAS RN: 1932644-89-7

D-Alanine, N-[(1,1-dimethylethoxy)carbonyl]-3,3,3-trifluoro-

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260331 100mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-090674
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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: 0.1g, 0.25g, 1g
  • Available purity: >95%
  • 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 1932644-89-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Shenzhen Inquiry
0.25g >95% 5 In Stock Hong Kong Inquiry
1g >95% 5 In Stock Shenzhen Inquiry

1932644-89-7 / (2S)-3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Standard CAS: 1932644-89-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1932644-89-7
Multi CAS
No
Molecular Formula
C8H12F3NO4
Molecular Weight
243.180000
Exact Mass
243.071842
SMILES
CC(C)(C)OC(=O)N[C@@H](C(=O)O)C(F)(F)F
InChI
InChI=1S/C8H12F3NO4/c1-7(2,3)16-6(15)12-4(5(13)14)8(9,10)11/h4H,1-3H3,(H,12,15)(H,13,14)/t4-/m0/s1
InChIKey
DRKWWMGEXDHBSK-BYPYZUCNSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.75
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
46.85
TPSA
75.63

LogP / Solubility

WLOGP
1.53
MLOGP
1.35
XLogP3
1.7
Consensus LogP
1.53
Log S (ESOL)
-2.18
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.66
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.75
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)
-3.12

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 (100%): 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

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