CAS RN: 1077-59-4
3-Methoxy-3-Methylisobenzofuran-1(3H)-One
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.20250630 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-009152
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 |
1077-59-4 / 3-methoxy-3-methyl-2-benzofuran-1-one
3-Methoxy-3-methyl-1(3H)-isobenzofuranone | RefChem:280376 | 3-METHOXY-3-METHYLISOBENZOFURAN-1(3H)-ONE
Basic Information
CAS
1077-59-4
Multi CAS
No
Molecular Formula
C10H10O3
Molecular Weight
178.180000
Exact Mass
178.062994
SMILES
CC1(C2=CC=CC=C2C(=O)O1)OC
InChI
InChI=1S/C10H10O3/c1-10(12-2)8-6-4-3-5-7(8)9(11)13-10/h3-6H,1-2H3
InChIKey
XMFFLDGJAGGWEU-UHFFFAOYSA-N
Synonyms
3-Methoxy-3-methyl-1(3H)-isobenzofuranone
RefChem:280376
3-METHOXY-3-METHYLISOBENZOFURAN-1(3H)-ONE
MFCD18452443
3-methoxy-3-methyl-1,3-dihydro-2-benzofuran-1-one
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
46.22
TPSA
35.53
LogP / Solubility
WLOGP
1.68
MLOGP
1.47
XLogP3
1.3
Consensus LogP
1.48
Log S (ESOL)
-2.28
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.23
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.33
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)
-2.62
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
