CAS RN: 16002-93-0
TRANS-1-PHENYL-1-PENTENE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260121 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS16002-93-0
- Purity/Analytical Methods: >99.0%
16002-93-0 / [(E)-pent-1-enyl]benzene
Basic Information
CAS
16002-93-0
Multi CAS
No
Molecular Formula
C11H14
Molecular Weight
146.230000
Exact Mass
146.109550
SMILES
CCC/C=C/C1=CC=CC=C1
InChI
InChI=1S/C11H14/c1-2-3-5-8-11-9-6-4-7-10-11/h4-10H,2-3H2,1H3/b8-5+
InChIKey
KHMYONNPZWOTKW-VMPITWQZSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
3
Molar refractivity
50.38
TPSA
0.0000
LogP / Solubility
WLOGP
3.5
MLOGP
3.07
XLogP3
3.9
Consensus LogP
3.49
Log S (ESOL)
-3.16
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.29
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.88
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)
-1.13
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
2-NITROBENZALDEHYDE SEMICARBAZONE
- CAS RN: 16004-43-6
- Product Code: starshine_CAS16004-43-6
- Purity/Analytical method: >99.0%
-
-
-
-
-
