CAS RN: 7561-64-0
7(Z), 10(Z),13(Z)-HEXADECATRIENOIC ACID
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.20260406 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS7561-64-0
- Purity/Analytical Methods: >99.0%
7561-64-0 / hexadeca-7,10,13-trienoic acid
Basic Information
CAS
7561-64-0
Multi CAS
Yes
Molecular Formula
C16H26O2
Molecular Weight
250.380000
Exact Mass
250.193280
InChI
InChI=1S/C16H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h3-4,6-7,9-10H,2,5,8,11-15H2,1H3,(H,17,18)/b4-3-,7-6-,10-9-
InChIKey
KBGYPXOSNDMZRV-PDBXOOCHSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.56
Rotatable bonds
11
H-bond acceptors
1
H-bond donors
1
Molar refractivity
77.67
TPSA
37.3
LogP / Solubility
WLOGP
4.88
MLOGP
4.3
XLogP3
4.8
Consensus LogP
4.66
Log S (ESOL)
-3.74
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.14
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.66
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)
-0.78
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
-
1-ethylsulfonyl-4-methyl-benzene
- CAS RN: 7569-34-8
- Product Code: starshine_CAS7569-34-8
- Purity/Analytical method: >99.0%
-
-
