[email protected]
CAS 24313-88-0 3,4,5-Trimethoxyaniline molecular structure lightbox
CAS RN: 24313-88-0

3,4,5-Trimethoxyaniline

Product Availability

Choose a grade to view its available package options.

5 package records3 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250411 100g Out of stock Inquiry
Batchno.20260613 25g In stock Inquiry
Batchno.20250712 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260630 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250814 5g Out of stock 8-10 business days Inquiry
  • Product code: ICTT1055
  • Purity/Analytical Methods: >98.0%(GC)(T)
GET A QUOTE

24313-88-0 / 3,4,5-trimethoxyaniline

Standard CAS: 24313-88-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
24313-88-0
Multi CAS
No
Molecular Formula
C9H13NO3
Molecular Weight
183.200000
Exact Mass
183.089543
SMILES
COC1=CC(=CC(=C1OC)OC)N
InChI
InChI=1S/C9H13NO3/c1-11-7-4-6(10)5-8(12-2)9(7)13-3/h4-5H,10H2,1-3H3
InChIKey
XEFRNCLPPFDWAC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
50.51
TPSA
53.71

LogP / Solubility

WLOGP
1.29
MLOGP
1.14
XLogP3
0.8
Consensus LogP
1.08
Log S (ESOL)
-1.94
Class (ESOL)
Soluble
Log S (Ali)
-2
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.29
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)
-2.92

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us