CAS RN: 1751-24-2
METHYL 5-METHOXYBENZOFURAN-2-CARBOXYLATE
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-076769
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 |
1751-24-2 / methyl 5-methoxy-1-benzofuran-2-carboxylate
Basic Information
CAS
1751-24-2
Multi CAS
No
Molecular Formula
C11H10O4
Molecular Weight
206.190000
Exact Mass
206.057909
SMILES
COC1=CC2=C(C=C1)OC(=C2)C(=O)OC
InChI
InChI=1S/C11H10O4/c1-13-8-3-4-9-7(5-8)6-10(15-9)11(12)14-2/h3-6H,1-2H3
InChIKey
IIYBASHGWDCRPV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.18
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
54.11
TPSA
48.67
LogP / Solubility
WLOGP
2.23
MLOGP
1.96
XLogP3
2.5
Consensus LogP
2.23
Log S (ESOL)
-2.83
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.86
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.09
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.4
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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