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CAS 131175-87-6 Dihydroartemisinin (mixture of α and β isomers), 95% (mix) molecular structure lightbox
CAS RN: 131175-87-6

Dihydroartemisinin (mixture of α and β isomers), 95% (mix)

  • Product code: SSC-037892
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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: 25g
  • 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 131175-87-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Hong Kong Inquiry

131175-87-6 / (1R,4S,5R,8S,9R,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-ol

Standard CAS: 131175-87-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
131175-87-6
Multi CAS
No
Molecular Formula
C15H24O5
Molecular Weight
284.350000
Exact Mass
284.162374
SMILES
C[C@@H]1CC[C@H]2[C@H](C(O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)O)C
InChI
InChI=1S/C15H24O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-13,16H,4-7H2,1-3H3/t8-,9-,10+,11+,12?,13-,14-,15-/m1/s1
InChIKey
BJDCWCLMFKKGEE-HVDUHBCDSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
69.05
TPSA
57.15

LogP / Solubility

WLOGP
2.19
MLOGP
1.93
XLogP3
2.5
Consensus LogP
2.21
Log S (ESOL)
-2.98
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.47
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.32
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)
-2.9

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
9.5

Safety & Transport

Pictogram(s)
Flammable Environmental Hazard
Signal
Danger
GHS Hazard Statements
H242 (100%): Heating may cause a fire [Danger Self-reactive substances and mixtures; Organic peroxides] H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P210, P234, P235, P240, P273, P280, P370+P378, P391, P403, P410, P411, P420, and P501

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