CAS RN: 2050-94-4
CARBONICACID,DIPENTYLESTER
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260312 | 200mg / 1g / 5g / 25g | Confirm by inquiry | Shanghai, Shandong | 5-7 business days | Inquiry |
- Product code: SSC-096463
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
2050-94-4 / dipentyl carbonate
Basic Information
CAS
2050-94-4
Multi CAS
No
Molecular Formula
C11H22O3
Molecular Weight
202.290000
Exact Mass
202.156895
SMILES
CCCCCOC(=O)OCCCCC
InChI
InChI=1S/C11H22O3/c1-3-5-7-9-13-11(12)14-10-8-6-4-2/h3-10H2,1-2H3
InChIKey
HSNQKJVQUFYBBY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.91
Rotatable bonds
8
H-bond acceptors
3
Molar refractivity
56.35
TPSA
35.53
LogP / Solubility
WLOGP
3.52
MLOGP
3.1
XLogP3
4.1
Consensus LogP
3.57
Log S (ESOL)
-2.78
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.76
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.86
Class (SILICOS-IT)
Slightly 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)
-1.45
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
1.5
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