[email protected]
CAS 1219149-66-2 N-Acetyl Sulfadiazine-d4 (Major), BR molecular structure lightbox
CAS RN: 1219149-66-2

N-Acetyl Sulfadiazine-d4 (Major), BR

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250810 50mg Out of stock 15 business days Inquiry
  • Product code: LINN874295
GET A QUOTE

1219149-66-2 / N-[2,3,5,6-tetradeuterio-4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide

Standard CAS: 1219149-66-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1219149-66-2
Multi CAS
No
Molecular Formula
C12H12N4O3S
Molecular Weight
296.340000
Exact Mass
296.088118
SMILES
[2H]C1=C(C(=C(C(=C1NC(=O)C)[2H])[2H])S(=O)(=O)NC2=NC=CC=N2)[2H]
InChI
InChI=1S/C12H12N4O3S/c1-9(17)15-10-3-5-11(6-4-10)20(18,19)16-12-13-7-2-8-14-12/h2-8H,1H3,(H,15,17)(H,13,14,16)/i3D,4D,5D,6D
InChIKey
NJIZUWGMNCUKGU-LNFUJOGGSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
73.59
TPSA
101.05

LogP / Solubility

WLOGP
1.24
MLOGP
1.1
XLogP3
-0.2
Consensus LogP
0.71
Log S (ESOL)
-2.61
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.85
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.07
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.63

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us