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CAS 1009816-48-1 Thiamet GDiscontinued molecular structure lightbox
CAS RN: 1009816-48-1

Thiamet GDiscontinued

Product Availability

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8 package records8 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260215 100mg In stock Shanghai Inquiry
Batchno.20260307 10mg In stock Shanghai Inquiry
Batchno.20260430 1mg In stock Shanghai Inquiry
Batchno.20251201 250mg In stock Shanghai Inquiry
Batchno.20250221 25mg In stock Shanghai Inquiry
Batchno.20250422 50mg In stock Shanghai Inquiry
Batchno.20250112 5mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260120 5mg / 25mg / 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-001777
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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: ＞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 1009816-48-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Hong Kong Inquiry

1009816-48-1 / (3aR,5R,6S,7R,7aR)-2-ethylimino-5-(hydroxymethyl)-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazole-6,7-diol

(3aR,5R,6S,7R,7aR)-2-(Ethylamino)-3a,6,7,7a-tetrahydro-5-(hydroxymethyl)-5H-pyrano[3,2-d]thiazole-6,7-diol | HMS3648I18 | Thiamet G, >=98% (HPLC)

Standard CAS: 1009816-48-1 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1009816-48-1
Multi CAS
Yes
Molecular Formula
C9H16N2O4S
Molecular Weight
248.300000
Exact Mass
248.083078
SMILES
CCN=C1N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2S1)CO)O)O
InChI
InChI=1S/C9H16N2O4S/c1-2-10-9-11-5-7(14)6(13)4(3-12)15-8(5)16-9/h4-8,12-14H,2-3H2,1H3,(H,10,11)/t4-,5-,6-,7-,8-/m1/s1
InChIKey
PPAIMZHKIXDJRN-FMDGEEDCSA-N
Synonyms
(3aR,5R,6S,7R,7aR)-2-(Ethylamino)-3a,6,7,7a-tetrahydro-5-(hydroxymethyl)-5H-pyrano[3,2-d]thiazole-6,7-diol HMS3648I18 Thiamet G, >=98% (HPLC) EX-A2240 s7213

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.89
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
4
Molar refractivity
60.25
TPSA
94.31

LogP / Solubility

WLOGP
-1.49
MLOGP
-1.31
XLogP3
-0.7
Consensus LogP
-1.17
Log S (ESOL)
-0.31
Class (ESOL)
Very soluble
Log S (Ali)
-0.52
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.27
Class (SILICOS-IT)
Very 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)
-5.3

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement Codes
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501

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