[email protected]
CAS 946670-72-0 3-methoxy-4-(3-methoxypropoxy)benzaldehyde molecular structure lightbox
CAS RN: 946670-72-0

3-methoxy-4-(3-methoxypropoxy)benzaldehyde

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250927 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS946670-72-0
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

946670-72-0 / 3-methoxy-4-(3-methoxypropoxy)benzaldehyde

Standard CAS: 946670-72-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
946670-72-0
Multi CAS
No
Molecular Formula
C12H16O4
Molecular Weight
224.250000
Exact Mass
224.104859
InChI
InChI=1S/C12H16O4/c1-14-6-3-7-16-11-5-4-10(9-13)8-12(11)15-2/h4-5,8-9H,3,6-7H2,1-2H3
InChIKey
QNQKDTJQKHRCEJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
7
H-bond acceptors
4
Molar refractivity
60.37
TPSA
44.76

LogP / Solubility

WLOGP
1.92
MLOGP
1.7
XLogP3
1.5
Consensus LogP
1.71
Log S (ESOL)
-2.26
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.79
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.55
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)
-2.72

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