CAS RN: 875685-44-2
9-Nitrooleate
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.20250827 | 1mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS875685-44-2
- Purity/Analytical Methods: >99.0%
875685-44-2 / (E)-9-nitrooctadec-9-enoic acid
Basic Information
CAS
875685-44-2
Multi CAS
Yes
Molecular Formula
C18H33NO4
Molecular Weight
327.500000
Exact Mass
327.240959
InChI
InChI=1S/C18H33NO4/c1-2-3-4-5-6-8-11-14-17(19(22)23)15-12-9-7-10-13-16-18(20)21/h14H,2-13,15-16H2,1H3,(H,20,21)/b17-14+
InChIKey
CQOAKBVRRVHWKV-SAPNQHFASA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Fraction Csp3
0.83
Rotatable bonds
16
H-bond acceptors
3
H-bond donors
1
Molar refractivity
93.03
TPSA
80.44
LogP / Solubility
WLOGP
5.71
MLOGP
5.04
XLogP3
6.7
Consensus LogP
5.82
Log S (ESOL)
-4.41
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.37
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.45
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
-0.66
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
2.5
Customers Also Viewed
-
10-Nitro Oleic Acid
- CAS RN: 875685-46-4
- Product Code: starshine_CAS875685-46-4
- Purity/Analytical method: >99.0%
-
benzenepropanoic acid, α-[[(6-amino-3,5-difluoro-2-pyridinyl)amino]methylene]-2,4,5-trifluoro-β-oxo-, ethyl ester
- CAS RN: 875712-88-2
- Product Code: SSC-197693
-
bisBenziMide H 33342 trihydrochloride
- CAS RN: 875756-97-1
- Product Code: starshine_CAS875756-97-1
- Purity/Analytical method: >99.0%
-
-
-
![CAS 875712-88-2 benzenepropanoic acid, α-[[(6-amino-3,5-difluoro-2-pyridinyl)amino]methylene]-2,4,5-trifluoro-β-oxo-, ethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/875712-88-2.gif)
![CAS 875781-18-3 5-bromo-3-iodo-1H-pyrazolo[3,4-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/875781-18-3.gif)