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CAS 1279037-95-4 TOPIRAMATE-D12 molecular structure lightbox
CAS RN: 1279037-95-4

TOPIRAMATE-D12

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3 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260315 1mg In stock Inquiry
Batchno.20251102 2.5mg In stock Inquiry
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Batchno.20260110 1mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1279037-95-4
  • Purity/Analytical Methods: >99.0%
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1279037-95-4 / [(1R,2S,6S,9R)-4,4,11,11-tetrakis(trideuteriomethyl)-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-6-yl]methyl sulfamate

Standard CAS: 1279037-95-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1279037-95-4
Multi CAS
No
Molecular Formula
C12H21NO8S
Molecular Weight
351.440000
Exact Mass
351.174109
SMILES
[2H]C([2H])([2H])C1(O[C@@H]2CO[C@@]3([C@H]([C@@H]2O1)OC(O3)(C([2H])([2H])[2H])C([2H])([2H])[2H])COS(=O)(=O)N)C([2H])([2H])[2H]
InChI
InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1/i1D3,2D3,3D3,4D3
InChIKey
KJADKKWYZYXHBB-RFYKXYJISA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
8
H-bond donors
1
Molar refractivity
71.6
TPSA
115.54

LogP / Solubility

WLOGP
-0.4
MLOGP
-0.33
XLogP3
-0.8
Consensus LogP
-0.51
Log S (ESOL)
-1.5
Class (ESOL)
Soluble
Log S (Ali)
-2.06
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.9
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
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)
-5.07

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4.5

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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