CAS RN: 5876-87-9
1,11-Dodecadiene
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-167086
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: ≥95%
- 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 | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
5876-87-9 / dodeca-1,11-diene
Basic Information
CAS
5876-87-9
Multi CAS
No
Molecular Formula
C12H22
Molecular Weight
166.300000
Exact Mass
166.172151
InChI
InChI=1S/C12H22/c1-3-5-7-9-11-12-10-8-6-4-2/h3-4H,1-2,5-12H2
InChIKey
IYPLTVKTLDQUGG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.67
Rotatable bonds
9
Molar refractivity
57.33
TPSA
0.0000
LogP / Solubility
WLOGP
4.48
MLOGP
3.94
XLogP3
6.3
Consensus LogP
4.91
Log S (ESOL)
-3.1
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.16
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.54
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
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)
-0.55
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
-
-
-
trans,trans-1,4-Distyrylbenzene
- CAS RN: 1608-41-9
- Product Code: ICTD4299
- Purity/Analytical method: >98.0%(GC)
![CAS 91465-71-3 Tricyclo[6.2.1.02,7]undeca-4-ene molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/t1384-jpgcontextbwfzdgvyfhjvb3r8mzmxmjv8aw1hz2uvanblz3xomzmvadzmlzg5mzi0mzk1ntyxmjyvvdezodquanbnfgu4ogexzgiyogrkogm4yty5zwm4yji3m2i0zdflm2i3mti1zjq0zda4mjgyogq4yjiyytywodu1m2zhytaxotc.jpeg)
