![CAS 142523-14-6 1-[(4-HYDROXYPHENOXY)ETHYLIDENE]BIS[PHOSPHINYLIDYNEBIS(OXYMETHYLENE)]-2,2-DIMETHYLPROPANOATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/142523-14-6.gif)
CAS RN: 142523-14-6
1-[(4-HYDROXYPHENOXY)ETHYLIDENE]BIS[PHOSPHINYLIDYNEBIS(OXYMETHYLENE)]-2,2-DIMETHYLPROPANOATE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260613 | 1mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS142523-14-6
- Purity/Analytical Methods: >99.0%
142523-14-6 / [[1-[bis(2,2-dimethylpropanoyloxymethoxy)phosphoryl]-1-(4-hydroxyphenoxy)ethyl]-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate
Basic Information
CAS
142523-14-6
Multi CAS
No
Molecular Formula
C32H52O16P2
Molecular Weight
754.700000
Exact Mass
754.273060
SMILES
CC(C)(C)C(=O)OCOP(=O)(C(C)(OC1=CC=C(C=C1)O)P(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C
InChI
InChI=1S/C32H52O16P2/c1-28(2,3)24(34)40-18-44-49(38,45-19-41-25(35)29(4,5)6)32(13,48-23-16-14-22(33)15-17-23)50(39,46-20-42-26(36)30(7,8)9)47-21-43-27(37)31(10,11)12/h14-17,33H,18-21H2,1-13H3
InChIKey
LOTSPVPQHAUHCE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
50
Aromatic heavy atom count
6
Fraction Csp3
0.69
Rotatable bonds
16
H-bond acceptors
16
H-bond donors
1
Molar refractivity
178.35
TPSA
205.72
LogP / Solubility
WLOGP
7.08
MLOGP
6.3
XLogP3
6
Consensus LogP
6.46
Log S (ESOL)
-8.02
Class (ESOL)
Insoluble
Log S (Ali)
-10.86
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.37
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.29
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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