![CAS 187585-64-4 2-Methyl-1,4-phenylene Bis[4-[[[4-(acryloyloxy)butoxy]carbonyl]oxy]benzoate] molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/m3368-jpgcontextbwfzdgvyfhjvb3r8mti3ntr8aw1hz2uvanblz3xoytuvadnhlzkymjqzmzu5mtcwodyvttmznjguanbnfdblmgu4njqwmzc5mzeymja1ndyyzme0mgvjmdzimze4zwywyzvjzjrhodk2zjjhnzg1nmu4owq3ogu4mtlin2q.jpeg)
CAS RN: 187585-64-4
2-Methyl-1,4-phenylene Bis[4-[[[4-(acryloyloxy)butoxy]carbonyl]oxy]benzoate]
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260530 | 10g | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20250921 | 1g | In stock | Shanghai, Tianjin, Chengdu | Inquiry |
| Batchno.20250407 | 250mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20251117 | 25g | In stock | Tianjin, Chengdu | Inquiry |
| Batchno.20260505 | 5g | In stock | Shanghai | Inquiry |
- Product code: SSC-087181
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
187585-64-4 / [3-methyl-4-[4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoyl]oxyphenyl] 4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoate
Basic Information
CAS
187585-64-4
Multi CAS
No
Molecular Formula
C37H36O14
Molecular Weight
704.700000
Exact Mass
704.210506
SMILES
CC1=C(C=CC(=C1)OC(=O)C2=CC=C(C=C2)OC(=O)OCCCCOC(=O)C=C)OC(=O)C3=CC=C(C=C3)OC(=O)OCCCCOC(=O)C=C
InChI
InChI=1S/C37H36O14/c1-4-32(38)44-20-6-8-22-46-36(42)49-28-14-10-26(11-15-28)34(40)48-30-18-19-31(25(3)24-30)51-35(41)27-12-16-29(17-13-27)50-37(43)47-23-9-7-21-45-33(39)5-2/h4-5,10-19,24H,1-2,6-9,20-23H2,3H3
InChIKey
ZKBUNGNDTCOGEU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
51
Aromatic heavy atom count
18
Fraction Csp3
0.24
Rotatable bonds
18
H-bond acceptors
14
Molar refractivity
178.71
TPSA
176.26
LogP / Solubility
WLOGP
6.48
MLOGP
5.77
XLogP3
7.8
Consensus LogP
6.68
Log S (ESOL)
-7.37
Class (ESOL)
Insoluble
Log S (Ali)
-10.02
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.78
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.42
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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