[email protected]
CAS 66901-79-9 5′-Acetoxy-2′-hydroxy-3′,4′,6′-trimethylacetophenone molecular structure lightbox
CAS RN: 66901-79-9

5′-Acetoxy-2′-hydroxy-3′,4′,6′-trimethylacetophenone

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260624 250mg Out of stock 15 business days Inquiry
  • Product code: LINA929467
GET A QUOTE

66901-79-9 / (3-acetyl-4-hydroxy-2,5,6-trimethylphenyl) acetate

Standard CAS: 66901-79-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
66901-79-9
Multi CAS
No
Molecular Formula
C13H16O4
Molecular Weight
236.260000
Exact Mass
236.104859
InChI
InChI=1S/C13H16O4/c1-6-7(2)13(17-10(5)15)8(3)11(9(4)14)12(6)16/h16H,1-5H3
InChIKey
QWOZODRKELOQJC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
63.63
TPSA
63.6

LogP / Solubility

WLOGP
2.45
MLOGP
2.16
XLogP3
2.6
Consensus LogP
2.4
Log S (ESOL)
-2.97
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.26
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.47
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.43

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

Customers Also Viewed

Get In Touch

Contact Us