CAS RN: 1871-70-1
2-Hexene, 1-chloro-5,5-dimethyl-
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260615 | 100mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1871-70-1
- Purity/Analytical Methods: >99.0%
1871-70-1 / (E)-1-chloro-5,5-dimethylhex-2-ene
Basic Information
CAS
1871-70-1
Multi CAS
No
Molecular Formula
C8H15Cl
Molecular Weight
146.660000
Exact Mass
146.086228
SMILES
CC(C)(C)C/C=C/CCl
InChI
InChI=1S/C8H15Cl/c1-8(2,3)6-4-5-7-9/h4-5H,6-7H2,1-3H3/b5-4+
InChIKey
FEHYLKNCXQWGTF-SNAWJCMRSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.75
Rotatable bonds
2
Molar refractivity
43.93
TPSA
0.0000
LogP / Solubility
WLOGP
3.22
MLOGP
2.83
XLogP3
3.3
Consensus LogP
3.12
Log S (ESOL)
-2.64
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.09
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.52
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)
-1.33
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
-
6-Bromo-8-methyl-3,4-dihydroquinolin-2(1H)-one
- CAS RN: 1872-69-1
- Product Code: SSC-086988
-
3-Quinolinecarboxylic acid, 1,2-dihydro-1-hydroxy-2-oxo-, ethyl ester
- CAS RN: 1873-41-2
- Product Code: starshine_CAS1873-41-2
- Purity/Analytical method: >99.0%
-
-
-
-
