CAS RN: 7493-79-0
A-AMYLCINNAMYL FORMATE
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.20250902 | 500mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS7493-79-0
- Purity/Analytical Methods: >99.0%
7493-79-0 / 2-benzylideneheptyl formate
Basic Information
CAS
7493-79-0
Multi CAS
Yes
Molecular Formula
C15H20O2
Molecular Weight
232.320000
Exact Mass
232.146330
InChI
InChI=1S/C15H20O2/c1-2-3-5-10-15(12-17-13-16)11-14-8-6-4-7-9-14/h4,6-9,11,13H,2-3,5,10,12H2,1H3/b15-11-
InChIKey
AWNFWGNFOOJDNO-PTNGSMBKSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
8
H-bond acceptors
2
Molar refractivity
70.58
TPSA
26.3
LogP / Solubility
WLOGP
3.82
MLOGP
3.37
XLogP3
4.9
Consensus LogP
4.03
Log S (ESOL)
-3.42
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.3
Class (SILICOS-IT)
Slightly soluble
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)
-1.42
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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