CAS RN: 949081-05-4
6-(4-Hydroxy-3-methylphenyl)-2-methylhept-2-en-4-one
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.20260504 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS949081-05-4
- Purity/Analytical Methods: >99.0%
949081-05-4 / (6S)-6-(4-hydroxy-3-methylphenyl)-2-methylhept-2-en-4-one
Basic Information
CAS
949081-05-4
Multi CAS
Yes
Molecular Formula
C15H20O2
Molecular Weight
232.320000
Exact Mass
232.146330
InChI
InChI=1S/C15H20O2/c1-10(2)7-14(16)9-11(3)13-5-6-15(17)12(4)8-13/h5-8,11,17H,9H2,1-4H3/t11-/m0/s1
InChIKey
IBJADFSTHKILPU-NSHDSACASA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
70.31
TPSA
37.3
LogP / Solubility
WLOGP
3.73
MLOGP
3.29
XLogP3
3.6
Consensus LogP
3.54
Log S (ESOL)
-3.63
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.16
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.75
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)
-1.49
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
2
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![CAS 949115-04-2 1-(4-(1,5-dimethyl-2,4-dioxa-3-borabicyclo[3.1.0]hexan-3-yl)phenyl)-1H-pyrrole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/949115-04-2.gif)