![CAS 99909-62-3 5-Isopropyl-3-(methoxycarbonyl)-2H-cyclohepta[b]furan-2-one molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/i0657-jpgcontextbwfzdgvyfhjvb3r8mze1nzd8aw1hz2uvanblz3xoywivaddllzg5mzexmtiyntu1mtgvsta2ntcuanbnfdu5ndaymja5zgu2mgfjmjc2mdkzzmrjoddkzjqwmgizzjnimzfhzdq0mdu0ztflogixmmy3mjdhmjvmmwu0yjq.jpeg)
CAS RN: 99909-62-3
5-Isopropyl-3-(methoxycarbonyl)-2H-cyclohepta[b]furan-2-one
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260221 | 1g | In stock | Shanghai | Inquiry |
- Product code: SSC-213427
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: 5g
- Available purity: >98%
- 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 |
|---|---|---|---|---|
| 5g | >98% | 0 Out of Stock | Shanghai | Inquiry |
99909-62-3 / methyl 2-oxo-5-propan-2-ylcyclohepta[b]furan-3-carboxylate
Basic Information
CAS
99909-62-3
Multi CAS
No
Molecular Formula
C14H14O4
Molecular Weight
246.260000
Exact Mass
246.089209
SMILES
CC(C)C1=CC2=C(C(=O)OC2=CC=C1)C(=O)OC
InChI
InChI=1S/C14H14O4/c1-8(2)9-5-4-6-11-10(7-9)12(13(15)17-3)14(16)18-11/h4-8H,1-3H3
InChIKey
HOVPKDFNWCKKGB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
10
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
67.03
TPSA
56.51
LogP / Solubility
WLOGP
2.65
MLOGP
2.34
XLogP3
2.4
Consensus LogP
2.46
Log S (ESOL)
-3.32
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.5
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.7
Class (SILICOS-IT)
Poorly 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)
-2.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
