[email protected]
CAS 14964-98-8 1-(6-hydroxy-2,4-dimethoxy-3-methylphenyl)ethanone molecular structure lightbox
CAS RN: 14964-98-8

1-(6-hydroxy-2,4-dimethoxy-3-methylphenyl)ethanone

Product Availability

Choose a grade to view its available package options.

3 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251128 10mg In stock Shanghai Inquiry
Batchno.20260517 25mg Out of stock Inquiry
Batchno.20251105 50mg Out of stock Inquiry
  • Product code: starshine_CAS14964-98-8
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

14964-98-8 / 1-(6-hydroxy-2,4-dimethoxy-3-methylphenyl)ethanone

Standard CAS: 14964-98-8 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
14964-98-8
Multi CAS
No
Molecular Formula
C11H14O4
Molecular Weight
210.230000
Exact Mass
210.089209
SMILES
CC1=C(C=C(C(=C1OC)C(=O)C)O)OC
InChI
InChI=1S/C11H14O4/c1-6-9(14-3)5-8(13)10(7(2)12)11(6)15-4/h5,13H,1-4H3
InChIKey
DUTVTRPNMVUOIS-UHFFFAOYSA-N

Physical Properties

Melting Point
44 - 45 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
55.95
TPSA
55.76

LogP / Solubility

WLOGP
1.92
MLOGP
1.69
XLogP3
2.1
Consensus LogP
1.9
Log S (ESOL)
-2.45
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.67
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.98
Class (SILICOS-IT)
Moderately 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)
-2.64

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us