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CAS 156604-79-4 Dexketoprofen trometamol molecular structure lightbox
CAS RN: 156604-79-4

Dexketoprofen trometamol

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251007 1g In stock Shanghai Inquiry
Batchno.20251212 25g In stock Shanghai Inquiry
Batchno.20260225 5g In stock Shanghai Inquiry
  • Product code: SSC-065665
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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: ≥95%
  • 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 156604-79-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

156604-79-4 / 2-amino-2-(hydroxymethyl)propane-1,3-diol;(2S)-2-(3-benzoylphenyl)propanoic acid

Standard CAS: 156604-79-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
156604-79-4
Multi CAS
No
Molecular Formula
C20H25NO6
Molecular Weight
375.400000
Exact Mass
375.168188
SMILES
C[C@@H](C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C(=O)O.C(C(CO)(CO)N)O
InChI
InChI=1S/C16H14O3.C4H11NO3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12;5-4(1-6,2-7)3-8/h2-11H,1H3,(H,18,19);6-8H,1-3,5H2/t11-;/m0./s1
InChIKey
QUZMDHVOUNDEKW-MERQFXBCSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.3
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
5
Molar refractivity
100.54
TPSA
141.08

LogP / Solubility

WLOGP
0.77
MLOGP
0.7
XLogP3
0.77
Consensus LogP
0.75
Log S (ESOL)
-2.52
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.19
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.58
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.47

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

Safety & Transport

Pictogram(s)
Acute Toxic Environmental Hazard
Signal
Danger
GHS Hazard Statements
H301 (15.3%): Toxic if swallowed [Danger Acute toxicity, oral] H311 (77.8%): Toxic in contact with skin [Danger Acute toxicity, dermal] H331 (77.8%): Toxic if inhaled [Danger Acute toxicity, inhalation] H410 (77.8%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P261, P262, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P391, P403+P233, P405, and P501

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