[email protected]
CAS 100-90-3 sulfamethazine-n4-acetyl molecular structure lightbox
CAS RN: 100-90-3

sulfamethazine-n4-acetyl

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250501 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS100-90-3
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

100-90-3 / N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide

100-90-3 | N(4)-Acetylsulfamethazine | N4-Acetylsulfamethazine

Standard CAS: 100-90-3 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
100-90-3
Multi CAS
Yes
Molecular Formula
C14H16N4O3S
Molecular Weight
320.370000
Exact Mass
320.094312
SMILES
CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C)C
InChI
InChI=1S/C14H16N4O3S/c1-9-8-10(2)16-14(15-9)18-22(20,21)13-6-4-12(5-7-13)17-11(3)19/h4-8H,1-3H3,(H,17,19)(H,15,16,18)
InChIKey
LJKAKWDUZRJNPJ-UHFFFAOYSA-N
Synonyms
100-90-3 N(4)-Acetylsulfamethazine N4-Acetylsulfamethazine CHEBI:83457 DTXSID50142848

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.21
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
83.06
TPSA
101.05

LogP / Solubility

WLOGP
1.85
MLOGP
1.64
XLogP3
0.1
Consensus LogP
1.2
Log S (ESOL)
-3.13
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.52
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.76
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.36

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H362 (100%): May cause harm to breast-fed children [Reproductive toxicity, effects on or via lactation]
Precautionary Statement Codes
P203, P260, P263, P264, P264+P265, P270, P280, P302+P352, P305+P351+P338, P318, P321, P332+P317, P337+P317, and P362+P364

Customers Also Viewed

Get In Touch

Contact Us