![CAS 586410-18-6 1,3-DiMethoxy-5-[2-(4-nitro-phenyl)-vinyl]-benzene molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB32605444.gif)
CAS RN: 586410-18-6
1,3-DiMethoxy-5-[2-(4-nitro-phenyl)-vinyl]-benzene
- Product code: SSC-166958
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g, 5g, 10g, 25g
- Available purity: ≥95%
- Inventory rows with stock: 6
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | ≥95% | 5 In Stock | Beijing | Inquiry |
| 0.25g | ≥95% | 5 In Stock | Hong Kong | Inquiry |
| 1g | ≥95% | 5 In Stock | Beijing | Inquiry |
| 5g | ≥95% | 5 In Stock | Shanghai | Inquiry |
| 10g | ≥95% | 5 In Stock | Shenzhen | Inquiry |
| 25g | ≥95% | 5 In Stock | Shenzhen | Inquiry |
586410-18-6 / 1,3-dimethoxy-5-[(E)-2-(4-nitrophenyl)ethenyl]benzene
Basic Information
CAS
586410-18-6
Multi CAS
Yes
Molecular Formula
C16H15NO4
Molecular Weight
285.290000
Exact Mass
285.100108
InChI
InChI=1S/C16H15NO4/c1-20-15-9-13(10-16(11-15)21-2)4-3-12-5-7-14(8-6-12)17(18)19/h3-11H,1-2H3/b4-3+
InChIKey
ZOKYIFYCPTXDCW-ONEGZZNKSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.12
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
81.57
TPSA
61.6
LogP / Solubility
WLOGP
3.78
MLOGP
3.34
XLogP3
4
Consensus LogP
3.71
Log S (ESOL)
-4.08
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.63
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.25
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.77
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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