CAS RN: 557-58-4
(E)-octadec-11-en-9-ynoic 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.20250402 | 2.5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS557-58-4
- Purity/Analytical Methods: >99.0%
557-58-4 / octadec-11-en-9-ynoic acid
Basic Information
CAS
557-58-4
Multi CAS
Yes
Molecular Formula
C18H30O2
Molecular Weight
278.400000
Exact Mass
278.224580
InChI
InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8H,2-6,11-17H2,1H3,(H,19,20)
InChIKey
VENIIVIRETXKSV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Fraction Csp3
0.72
Rotatable bonds
12
H-bond acceptors
1
H-bond donors
1
Molar refractivity
85.63
TPSA
37.3
LogP / Solubility
WLOGP
5.33
MLOGP
4.7
XLogP3
6.6
Consensus LogP
5.54
Log S (ESOL)
-4.13
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.69
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.34
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)
-0.63
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
BROMODIIODOMETHANE
- CAS RN: 557-95-9
- Product Code: starshine_CAS557-95-9
- Purity/Analytical method: >99.0%
-
-
-
di-t-butyldifluorosilane
- CAS RN: 558-63-4
- Product Code: starshine_CAS558-63-4
- Purity/Analytical method: >99.0%
-
1-BROMO-1,1,2,2,3,3,4,4-OCTAFLUOROBUTANE
- CAS RN: 558-86-1
- Product Code: starshine_CAS558-86-1
- Purity/Analytical method: >99.0%
