CAS RN: 126354-30-1
Benzamide, N-(2,3-dihydro-5-methyl-2-oxo-4-pyrimidinyl)-
- Product code: SSC-033499
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: 1g
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
126354-30-1 / N-(5-methyl-2-oxo-1H-pyrimidin-6-yl)benzamide
Basic Information
CAS
126354-30-1
Multi CAS
No
Molecular Formula
C12H11N3O2
Molecular Weight
229.230000
Exact Mass
229.085127
SMILES
CC1=C(NC(=O)N=C1)NC(=O)C2=CC=CC=C2
InChI
InChI=1S/C12H11N3O2/c1-8-7-13-12(17)15-10(8)14-11(16)9-5-3-2-4-6-9/h2-7H,1H3,(H2,13,14,15,16,17)
InChIKey
FMKLITBCOZWOEX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
63.99
TPSA
74.85
LogP / Solubility
WLOGP
1.33
MLOGP
1.17
XLogP3
0.7
Consensus LogP
1.07
Log S (ESOL)
-2.49
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.4
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.49
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.17
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 126393-38-2 5-[4-(TERT-BUTYL)PHENYL]-2H-1,2,3,4-TETRAAZOLE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/126393-38-2.gif)
