![CAS 1086378-35-9 Methyl benzo[d]oxazole-7-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1086378-35-9.gif)
CAS RN: 1086378-35-9
Methyl benzo[d]oxazole-7-carboxylate
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: SSC-009872
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g, 5g, 10g
- Available purity: ≥95%
- Inventory rows with stock: 2
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | ≥95% | 2 In Stock | Hong Kong | Inquiry |
| 0.25g | ≥95% | 2 In Stock | Shanghai | Inquiry |
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
| 5g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
| 10g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1086378-35-9 / methyl 1,3-benzoxazole-7-carboxylate
Methyl benzo[d]oxazole-7-carboxylate | Methyl 1,3-Benzoxazole-7-carboxylate | methyl benzoxazole-7-carboxylate
Basic Information
CAS
1086378-35-9
Multi CAS
No
Molecular Formula
C9H7NO3
Molecular Weight
177.160000
Exact Mass
177.042593
SMILES
COC(=O)C1=C2C(=CC=C1)N=CO2
InChI
InChI=1S/C9H7NO3/c1-12-9(11)6-3-2-4-7-8(6)13-5-10-7/h2-5H,1H3
InChIKey
SVWYSYMOKICPBK-UHFFFAOYSA-N
Synonyms
Methyl benzo[d]oxazole-7-carboxylate
Methyl 1,3-Benzoxazole-7-carboxylate
methyl benzoxazole-7-carboxylate
MFCD11042246
Methylbenzo[d]oxazole-7-carboxylate
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
45.35
TPSA
52.33
LogP / Solubility
WLOGP
1.61
MLOGP
1.42
XLogP3
1.6
Consensus LogP
1.54
Log S (ESOL)
-2.4
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.18
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.27
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
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