CAS RN: 22644-96-8
(E)-2-Hexadecenal
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.20251113 | 1mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS22644-96-8
- Purity/Analytical Methods: >99.0%
22644-96-8 / hexadec-2-enal
Basic Information
CAS
22644-96-8
Multi CAS
No
Molecular Formula
C16H30O
Molecular Weight
238.410000
Exact Mass
238.229666
SMILES
CCCCCCCCCCCCCC=CC=O
InChI
InChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h14-16H,2-13H2,1H3/b15-14+
InChIKey
KLJFYXOVGVXZKT-CCEZHUSRSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.81
Rotatable bonds
13
H-bond acceptors
1
Molar refractivity
76.28
TPSA
17.07
LogP / Solubility
WLOGP
5.44
MLOGP
4.79
XLogP3
6.9
Consensus LogP
5.71
Log S (ESOL)
-3.89
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.44
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.29
Class (SILICOS-IT)
Insoluble
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)
-0.31
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
2-Acetyl-3-methyl-6-methoxynaphthalene-1,8-diol
- CAS RN: 22649-04-3
- Product Code: starshine_CAS22649-04-3
- Purity/Analytical method: >99.0%
-
-
1-AMINO-CYCLOPENTANECARBOXYLIC ACID ETHYL ESTER HCL
- CAS RN: 22649-37-2
- Product Code: SSC-110582
-
dexamethasone 21-methanesulfonate
- CAS RN: 2265-22-7
- Product Code: starshine_CAS2265-22-7
- Purity/Analytical method: >99.0%
-
3,3-dimethylcyclohexan-1-amine hydrochloride
- CAS RN: 226549-07-1
- Product Code: SSC-110598
