![CAS 1829-60-3 Dimethyl 7-Oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/d4414-jpgcontextbwfzdgvyfhjvb3r8ndazotf8aw1hz2uvanblz3xoyjavadazlzg5mzayodg4njeymtqvrdq0mtquanbnfgyyzjnhodrjngy1yty1ngixzjk1mgrmywy2mdi4mzzhn2qyotq2y2ixyzy5mjkznmizymiynde1nju4yzrkmdy.jpeg)
CAS RN: 1829-60-3
Dimethyl 7-Oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate
Product Availability
Choose a grade to view its available package options.
3 package records2 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250213 | 200mg / 1g / 5g / 25g | Confirm by inquiry | Shanghai | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260522 | 250mg | Out of stock | 8-10 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260505 | 250mg / 1g / 5g | Confirm by inquiry | Shanghai | 8-10 business days | Inquiry |
- Product code: SSC-084649
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: ≥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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
1829-60-3 / dimethyl 7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate
Basic Information
CAS
1829-60-3
Multi CAS
No
Molecular Formula
C10H10O5
Molecular Weight
210.180000
Exact Mass
210.052823
SMILES
COC(=O)C1=C(C2C=CC1O2)C(=O)OC
InChI
InChI=1S/C10H10O5/c1-13-9(11)7-5-3-4-6(15-5)8(7)10(12)14-2/h3-6H,1-2H3
InChIKey
FQVSHUVBNGSEJO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
48.86
TPSA
61.83
LogP / Solubility
WLOGP
-0.03
MLOGP
-0.03
XLogP3
0.1
Consensus LogP
0.01
Log S (ESOL)
-0.99
Class (ESOL)
Very soluble
Log S (Ali)
-1.26
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.24
Class (SILICOS-IT)
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)
-4.03
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
