[email protected]
CAS 202466-68-0 RO 04-6790 molecular structure lightbox
CAS RN: 202466-68-0

RO 04-6790

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250304 5mg / 25mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS202466-68-0
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

202466-68-0 / 4-amino-N-[2,6-bis(methylamino)pyrimidin-4-yl]benzenesulfonamide

Standard CAS: 202466-68-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
202466-68-0
Multi CAS
No
Molecular Formula
C12H16N6O2S
Molecular Weight
308.360000
Exact Mass
308.105545
SMILES
CNC1=CC(=NC(=N1)NC)NS(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C12H16N6O2S/c1-14-10-7-11(17-12(15-2)16-10)18-21(19,20)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H3,14,15,16,17,18)
InChIKey
JELFWSXQTXRMAJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.17
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
4
Molar refractivity
82.79
TPSA
122.03

LogP / Solubility

WLOGP
0.94
MLOGP
0.84
XLogP3
1.7
Consensus LogP
1.16
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.77
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.05
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.93

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

Customers Also Viewed

Get In Touch

Contact Us