CAS RN: 1448346-38-0

“Albendazole sulfoxide-D3Ricobendazole-D3”

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Batchno.20251207 1mg / 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1448346-38-0
  • Purity/Analytical Methods: >99.0%
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1448346-38-0 / trideuteriomethyl N-(6-propylsulfinyl-1H-benzimidazol-2-yl)carbamate

Standard CAS: 1448346-38-0 Multi CAS: No

Basic Information

CAS
1448346-38-0
Multi CAS
No
Molecular Formula
C12H15N3O3S
Molecular Weight
284.350000
Exact Mass
284.102243
SMILES
[2H]C([2H])([2H])OC(=O)NC1=NC2=C(N1)C=C(C=C2)S(=O)CCC
InChI
InChI=1S/C12H15N3O3S/c1-3-6-19(17)8-4-5-9-10(7-8)14-11(13-9)15-12(16)18-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)/i2D3
InChIKey
VXTGHWHFYNYFFV-BMSJAHLVSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
9
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
73.69
TPSA
84.08

LogP / Solubility

WLOGP
2.26
MLOGP
2
XLogP3
1.4
Consensus LogP
1.89
Log S (ESOL)
-3.09
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.5
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.84
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.83

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
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 (97.4%): Harmful if swallowed [Warning Acute toxicity, oral] H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement Codes
P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501

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