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: 25g
- 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 |
|---|---|---|---|---|
| 25g | ＞97% | 0 Out of Stock | Hong Kong | Inquiry |
35466-87-6 / 2-ethoxycarbonyloxyethyl ethyl carbonate
Basic Information
CAS
35466-87-6
Multi CAS
No
Molecular Formula
C8H14O6
Molecular Weight
206.190000
Exact Mass
206.079038
InChI
InChI=1S/C8H14O6/c1-3-11-7(9)13-5-6-14-8(10)12-4-2/h3-6H2,1-2H3
InChIKey
MYNUAGYBVSQRFN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.75
Rotatable bonds
5
H-bond acceptors
6
Molar refractivity
45.95
TPSA
71.06
LogP / Solubility
WLOGP
1.33
MLOGP
1.17
XLogP3
1.5
Consensus LogP
1.33
Log S (ESOL)
-1.63
Class (ESOL)
Soluble
Log S (Ali)
-2.21
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.71
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)
-3.03
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
1.5
