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: 25g
- Available purity: ≥98%
- 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 |
|---|---|---|---|---|
| 25g | ≥98% | 0 Out of Stock | Shanghai | Inquiry |
1087-02-1 / 1,4-dicyclohexylbenzene
1,4-Dicyclohexylbenzene | p-Dicyclohexylbenzene | UNII-A4M5U01MCY
Basic Information
CAS
1087-02-1
Multi CAS
Yes
Molecular Formula
C18H26
Molecular Weight
242.400000
Exact Mass
242.203451
SMILES
C1CCC(CC1)C2=CC=C(C=C2)C3CCCCC3
InChI
InChI=1S/C18H26/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16/h11-16H,1-10H2
InChIKey
QQFSIGWYINAJOB-UHFFFAOYSA-N
Synonyms
1,4-Dicyclohexylbenzene
p-Dicyclohexylbenzene
UNII-A4M5U01MCY
A4M5U01MCY
NSC-6353
Physical Properties
Physical Description
White crystalline solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.67
Rotatable bonds
2
Molar refractivity
78.09
TPSA
0.0000
LogP / Solubility
WLOGP
5.78
MLOGP
5.09
XLogP3
7
Consensus LogP
5.96
Log S (ESOL)
-5.1
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.72
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.27
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
No
Log Kp (skin permeation)
-0.09
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
