CAS RN: 1255507-88-0
CARBENDAZIM D3
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.20260307 | 1mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1255507-88-0
- Purity/Analytical Methods: >99.0%
1255507-88-0 / trideuteriomethyl N-(1H-benzimidazol-2-yl)carbamate
Basic Information
CAS
1255507-88-0
Multi CAS
No
Molecular Formula
C9H9N3O2
Molecular Weight
194.200000
Exact Mass
194.088307
SMILES
[2H]C([2H])([2H])OC(=O)NC1=NC2=CC=CC=C2N1
InChI
InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)/i1D3
InChIKey
TWFZGCMQGLPBSX-FIBGUPNXSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
52.12
TPSA
67.01
LogP / Solubility
WLOGP
1.74
MLOGP
1.53
XLogP3
1.5
Consensus LogP
1.59
Log S (ESOL)
-2.53
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.38
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.47
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.65
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Health Hazard
Environmental Hazard
Signal
Danger
GHS Hazard Statements
H340 (100%): May cause genetic defects [Danger Germ cell mutagenicity]
H360 (97.4%): May damage fertility or the unborn child [Danger Reproductive toxicity]
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P203, P273, P280, P318, P391, P405, and P501
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