[email protected]
CAS 52048-31-4 N,N-diethyl-4-(1,3-thiazol-2-yldiazenyl)aniline molecular structure lightbox
CAS RN: 52048-31-4

N,N-diethyl-4-(1,3-thiazol-2-yldiazenyl)aniline

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260523 200mg / 1g / 5g Confirm by inquiry Shandong 5-7 business days Inquiry
  • Product code: LINN824489
GET A QUOTE

52048-31-4 / N,N-diethyl-4-(1,3-thiazol-2-yldiazenyl)aniline

Standard CAS: 52048-31-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
52048-31-4
Multi CAS
Yes
Molecular Formula
C13H16N4S
Molecular Weight
260.360000
Exact Mass
260.109568
InChI
InChI=1S/C13H16N4S/c1-3-17(4-2)12-7-5-11(6-8-12)15-16-13-14-9-10-18-13/h5-10H,3-4H2,1-2H3
InChIKey
CPQZFVALGRYOJM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
11
Fraction Csp3
0.31
Rotatable bonds
5
H-bond acceptors
5
Molar refractivity
76.29
TPSA
40.85

LogP / Solubility

WLOGP
4.4
MLOGP
3.88
XLogP3
3.9
Consensus LogP
4.06
Log S (ESOL)
-4.35
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.88
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.61
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.18

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us