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CAS 19902-91-1 DIHYDROMETHYSTICIN molecular structure lightbox
CAS RN: 19902-91-1

DIHYDROMETHYSTICIN

Product Availability

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7 package records7 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251208 100mg In stock Shanghai Inquiry
Batchno.20250720 10mg In stock Shanghai Inquiry
Batchno.20260110 1mg In stock Shanghai Inquiry
Batchno.20260131 250mg In stock Shanghai Inquiry
Batchno.20250725 25mg In stock Shanghai Inquiry
Batchno.20251014 50mg In stock Shanghai Inquiry
Batchno.20250808 5mg In stock Shanghai Inquiry
  • Product code: SSC-093752
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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: 0.25g
  • Available purity: ≥98%
  • 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 19902-91-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥98% 0 Out of Stock Shanghai Inquiry

19902-91-1 / (2S)-2-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methoxy-2,3-dihydropyran-6-one

Standard CAS: 19902-91-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
19902-91-1
Multi CAS
No
Molecular Formula
C15H16O5
Molecular Weight
276.280000
Exact Mass
276.099774
SMILES
COC1=CC(=O)O[C@H](C1)CCC2=CC3=C(C=C2)OCO3
InChI
InChI=1S/C15H16O5/c1-17-12-7-11(20-15(16)8-12)4-2-10-3-5-13-14(6-10)19-9-18-13/h3,5-6,8,11H,2,4,7,9H2,1H3/t11-/m0/s1
InChIKey
RSIWXFIBHXYNFM-NSHDSACASA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
70.48
TPSA
53.99

LogP / Solubility

WLOGP
2.19
MLOGP
1.94
XLogP3
2.6
Consensus LogP
2.24
Log S (ESOL)
-2.89
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.41
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.76
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)
-2.85

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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