CAS RN: 1287076-43-0
Albendazole-d7
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260113 | 50mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1287076-43-0
- Purity/Analytical Methods: >99.0%
1287076-43-0 / methyl N-[6-(1,1,2,2,3,3,3-heptadeuteriopropylsulfanyl)-1H-benzimidazol-2-yl]carbamate
Basic Information
CAS
1287076-43-0
Multi CAS
No
Molecular Formula
C12H15N3O2S
Molecular Weight
272.380000
Exact Mass
272.132435
SMILES
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])SC1=CC2=C(C=C1)N=C(N2)NC(=O)OC
InChI
InChI=1S/C12H15N3O2S/c1-3-6-18-8-4-5-9-10(7-8)14-11(13-9)15-12(16)17-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)/i1D3,3D2,6D2
InChIKey
HXHWSAZORRCQMX-JOMZKNQJSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
9
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
73.14
TPSA
67.01
LogP / Solubility
WLOGP
3.24
MLOGP
2.86
XLogP3
2.9
Consensus LogP
3
Log S (ESOL)
-3.63
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.08
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.56
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.04
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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