CAS RN: 18319-93-2
4-METHYLUMBELLIFERYL NONANOATE
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.20260316 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS18319-93-2
- Purity/Analytical Methods: >99.0%
18319-93-2 / (4-methyl-2-oxochromen-7-yl) nonanoate
Basic Information
CAS
18319-93-2
Multi CAS
No
Molecular Formula
C19H24O4
Molecular Weight
316.400000
Exact Mass
316.167459
SMILES
CCCCCCCCC(=O)OC1=CC2=C(C=C1)C(=CC(=O)O2)C
InChI
InChI=1S/C19H24O4/c1-3-4-5-6-7-8-9-18(20)22-15-10-11-16-14(2)12-19(21)23-17(16)13-15/h10-13H,3-9H2,1-2H3
InChIKey
IEJIWAFZZKFSFV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
10
Fraction Csp3
0.47
Rotatable bonds
8
H-bond acceptors
4
Molar refractivity
90.85
TPSA
56.51
LogP / Solubility
WLOGP
4.76
MLOGP
4.2
XLogP3
5.5
Consensus LogP
4.82
Log S (ESOL)
-4.59
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.59
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.63
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.27
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
-
-
4-METHYLUMBELLIFERYL OLEATE
- CAS RN: 18323-58-5
- Product Code: starshine_CAS18323-58-5
- Purity/Analytical method: >99.0%
-
-
-
2-Acetoxy-3-deacetoxycaesaldekarin E
- CAS RN: 18326-06-2
- Product Code: starshine_CAS18326-06-2
- Purity/Analytical method: >99.0%
