CAS RN: 87-85-4
Hexamethylbenzene Zone Refined (number of passes:20)
Product Availability
Choose a grade to view its available package options.
11 package records10 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260321 | 100g | In stock | Shanghai | Inquiry | |
| Batchno.20250217 | 1g | In stock | Shanghai, Shenzhen | Inquiry | |
| Batchno.20250516 | 250mg | In stock | Shanghai, Tianjin | Inquiry | |
| Batchno.20260510 | 25g | In stock | Shanghai, Wuhan, Chengdu | Inquiry | |
| Batchno.20250316 | 5g | In stock | Shanghai, Tianjin, Wuhan, Chengdu | Inquiry |
- Product code: SSC-196419
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 |
87-85-4 / 1,2,3,4,5,6-hexamethylbenzene
Basic Information
CAS
87-85-4
Multi CAS
No
Molecular Formula
C12H18
Molecular Weight
162.270000
Exact Mass
162.140851
InChI
InChI=1S/C12H18/c1-7-8(2)10(4)12(6)11(5)9(7)3/h1-6H3
InChIKey
YUWFEBAXEOLKSG-UHFFFAOYSA-N
Physical Properties
Physical Description
Colorless solid; [Hawley] White crystalline powder with a yellow tint
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.5
Molar refractivity
54.86
TPSA
0.0000
LogP / Solubility
WLOGP
3.54
MLOGP
3.11
XLogP3
4.6
Consensus LogP
3.75
Log S (ESOL)
-3.44
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.44
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.65
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
