CAS RN: 2416-19-5
(E)-hexadec-7-enoic acid
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock1 grade group
- Product code: starshine_CAS2416-19-5
- Purity/Analytical Methods: >99.0%
2416-19-5 / hexadec-7-enoic acid
Basic Information
CAS
2416-19-5
Multi CAS
No
Molecular Formula
C16H30O2
Molecular Weight
254.410000
Exact Mass
254.224580
SMILES
CCCCCCCCC=CCCCCCC(=O)O
InChI
InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h9-10H,2-8,11-15H2,1H3,(H,17,18)/b10-9-
InChIKey
PJHOFUXBXJNUAC-KTKRTIGZSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.81
Rotatable bonds
13
H-bond acceptors
1
H-bond donors
1
Molar refractivity
77.85
TPSA
37.3
LogP / Solubility
WLOGP
5.33
MLOGP
4.7
XLogP3
6.4
Consensus LogP
5.48
Log S (ESOL)
-3.92
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.49
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.3
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)
-0.49
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
-
4-(4-METHYOXY)PHENYL-1-BUTEN-4-OL 97
- CAS RN: 24165-60-4
- Product Code: starshine_CAS24165-60-4
- Purity/Analytical method: >99.0%
-
4-CYANO-N,N-DIMETHYLBENZAMIDE
- CAS RN: 24167-50-8
- Product Code: starshine_CAS24167-50-8
- Purity/Analytical method: >99.0%
-
-
-
-
