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: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
942195-84-8 / N,N,2-trimethyl-7-phenylmethoxy-3H-benzimidazole-5-carboxamide
Basic Information
CAS
942195-84-8
Multi CAS
No
Molecular Formula
C18H19N3O2
Molecular Weight
309.400000
Exact Mass
309.147727
InChI
InChI=1S/C18H19N3O2/c1-12-19-15-9-14(18(22)21(2)3)10-16(17(15)20-12)23-11-13-7-5-4-6-8-13/h4-10H,11H2,1-3H3,(H,19,20)
InChIKey
LMUKCLBCNXTYHK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
15
Fraction Csp3
0.22
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
89.62
TPSA
58.22
LogP / Solubility
WLOGP
3.15
MLOGP
2.79
XLogP3
2.8
Consensus LogP
2.91
Log S (ESOL)
-3.96
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.37
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.77
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.37
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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7-hydroxy-N,N,2-triMethyl-3-tosyl-3H-benzo[d]iMidazole-5-carboxaMide
- CAS RN: 942195-86-0
- Product Code: SSC-208828
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![CAS 942195-86-0 7-hydroxy-N,N,2-triMethyl-3-tosyl-3H-benzo[d]iMidazole-5-carboxaMide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/942195-86-0.gif)
