![CAS 572913-59-8 Ethyl 6-[(2-Cyanoethoxy)(4,4-diphenylcyclohexyloxy)phosphoryloxy]hexanoate molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/e1313-jpgcontextbwfzdgvyfhjvb3r8mze0ntr8aw1hz2uvanblz3xomzqvage1lzg5mza1ody5mtg5ndivrtezmtmuanbnfgfhzjmxnzq1nwjkzmjimmq3ztvindu5owvlodbjytzkodm2nzeym2uymwm1ogi4yzvjzjllntvmyzk2yja1mgu.jpeg)
CAS RN: 572913-59-8
Ethyl 6-[(2-Cyanoethoxy)(4,4-diphenylcyclohexyloxy)phosphoryloxy]hexanoate
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.20260319 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: ICTE1313
- Purity/Analytical Methods: >95.0%(HPLC)
572913-59-8 / ethyl 6-[2-cyanoethoxy-(4,4-diphenylcyclohexyl)oxyphosphoryl]oxyhexanoate
Basic Information
CAS
572913-59-8
Multi CAS
No
Molecular Formula
C29H38NO6P
Molecular Weight
527.600000
Exact Mass
527.243675
InChI
InChI=1S/C29H38NO6P/c1-2-33-28(31)17-10-5-11-23-34-37(32,35-24-12-22-30)36-27-18-20-29(21-19-27,25-13-6-3-7-14-25)26-15-8-4-9-16-26/h3-4,6-9,13-16,27H,2,5,10-12,17-21,23-24H2,1H3
InChIKey
GVQOELYSOIYIGR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
37
Aromatic heavy atom count
12
Fraction Csp3
0.52
Rotatable bonds
15
H-bond acceptors
7
Molar refractivity
141.85
TPSA
94.85
LogP / Solubility
WLOGP
7.11
MLOGP
6.3
XLogP3
5.2
Consensus LogP
6.2
Log S (ESOL)
-6.84
Class (ESOL)
Insoluble
Log S (Ali)
-9.02
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.79
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.89
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
4.5
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