CAS RN: 86112-79-0
1-PYRENYLMETHYL METHACRYLATE
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock2 grade groups
- Product code: starshine_CAS86112-79-0
- Purity/Analytical Methods: >99.0%
86112-79-0 / pyren-1-ylmethyl 2-methylprop-2-enoate
Basic Information
CAS
86112-79-0
Multi CAS
Yes
Molecular Formula
C21H16O2
Molecular Weight
300.300000
Exact Mass
300.115030
InChI
InChI=1S/C21H16O2/c1-13(2)21(22)23-12-17-9-8-16-7-6-14-4-3-5-15-10-11-18(17)20(16)19(14)15/h3-11H,1,12H2,2H3
InChIKey
BUQDPCFXOBQDLX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
16
Fraction Csp3
0.1
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
94.76
TPSA
26.3
LogP / Solubility
WLOGP
5.2
MLOGP
4.59
XLogP3
5.7
Consensus LogP
5.16
Log S (ESOL)
-5.3
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.78
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.29
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)
-0.86
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
Customers Also Viewed
-
(R)-ALPHA-BENZYL-L-PROLINE-HCL
- CAS RN: 86116-84-9
- Product Code: starshine_CAS86116-84-9
- Purity/Analytical method: >99.0%
-
(R)-2-Amino-3-methoxypropanoic acid hydrochloride
- CAS RN: 86118-10-7
- Product Code: SSC-194969
-
-
-
1H-IMidazole, 4-broMo-1-Methyl-2-phenyl-
- CAS RN: 86119-59-7
- Product Code: starshine_CAS86119-59-7
- Purity/Analytical method: >99.0%
-
D-Serine, N-[(1,1-dimethylethoxy)carbonyl]-O-methyl- (9CI)
- CAS RN: 86123-95-7
- Product Code: SSC-194978
![CAS 86123-95-7 D-Serine, N-[(1,1-dimethylethoxy)carbonyl]-O-methyl- (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/86123-95-7.gif)