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: ≥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 |
|---|---|---|---|---|
| 25g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
85590-00-7 / 10-phosphonooxydecyl 2-methylprop-2-enoate
Basic Information
CAS
85590-00-7
Multi CAS
Yes
Molecular Formula
C14H27O6P
Molecular Weight
322.330000
Exact Mass
322.154526
InChI
InChI=1S/C14H27O6P/c1-13(2)14(15)19-11-9-7-5-3-4-6-8-10-12-20-21(16,17)18/h1,3-12H2,2H3,(H2,16,17,18)
InChIKey
CFKBCVIYTWDYRP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Fraction Csp3
0.79
Rotatable bonds
13
H-bond acceptors
4
H-bond donors
2
Molar refractivity
80.71
TPSA
93.06
LogP / Solubility
WLOGP
3.34
MLOGP
2.95
XLogP3
2.9
Consensus LogP
3.06
Log S (ESOL)
-3.08
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.61
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.08
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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BIS(I-PROPYLCYCLOPENTADIENYL)MANGANESE
- CAS RN: 85594-02-1
- Product Code: starshine_CAS85594-02-1
- Purity/Analytical method: >99.0%
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