[email protected]
CAS 374538-05-3 3,8-DIMETHOXY-2-NAPHTHALDEHYDE molecular structure lightbox
CAS RN: 374538-05-3

3,8-DIMETHOXY-2-NAPHTHALDEHYDE

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251202 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS374538-05-3
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

374538-05-3 / 3,8-dimethoxynaphthalene-2-carbaldehyde

Standard CAS: 374538-05-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
374538-05-3
Multi CAS
No
Molecular Formula
C13H12O3
Molecular Weight
216.230000
Exact Mass
216.078644
InChI
InChI=1S/C13H12O3/c1-15-12-5-3-4-9-7-13(16-2)10(8-14)6-11(9)12/h3-8H,1-2H3
InChIKey
YBCQBSORAFCHGW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.15
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
62.44
TPSA
35.53

LogP / Solubility

WLOGP
2.67
MLOGP
2.35
XLogP3
2.6
Consensus LogP
2.54
Log S (ESOL)
-3.13
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.26
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.64
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.14

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