[email protected]
CAS 4079-52-1 2-METHOXYACETOPHENONE molecular structure lightbox
CAS RN: 4079-52-1

2-METHOXYACETOPHENONE

Product Availability

Choose a grade to view its available package options.

4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250108 1g In stock Inquiry
Batchno.20250324 250mg In stock Inquiry
Batchno.20260322 5g In stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251008 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS4079-52-1
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

4079-52-1 / 2-methoxy-1-phenylethanone

Standard CAS: 4079-52-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4079-52-1
Multi CAS
Yes
Molecular Formula
C9H10O2
Molecular Weight
150.170000
Exact Mass
150.068080
InChI
InChI=1S/C9H10O2/c1-11-7-9(10)8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKey
YRNDGUSDBCARGC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
42.65
TPSA
26.3

LogP / Solubility

WLOGP
1.52
MLOGP
1.33
XLogP3
1.5
Consensus LogP
1.45
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-1.89
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.25
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)
-2.56

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us