![CAS 712326-63-1 Benzenesulfonamide, 4-methyl-2-nitro-N-[4-[(2-thiazolylamino)sulfonyl]phenyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/712326-63-1.gif)
CAS RN: 712326-63-1
Benzenesulfonamide, 4-methyl-2-nitro-N-[4-[(2-thiazolylamino)sulfonyl]phenyl]-
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250826 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS712326-63-1
- Purity/Analytical Methods: >99.0%
712326-63-1 / 4-methyl-2-nitro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzenesulfonamide
Basic Information
CAS
712326-63-1
Multi CAS
No
Molecular Formula
C16H14N4O6S3
Molecular Weight
454.500000
Exact Mass
454.007548
InChI
InChI=1S/C16H14N4O6S3/c1-11-2-7-15(14(10-11)20(21)22)29(25,26)18-12-3-5-13(6-4-12)28(23,24)19-16-17-8-9-27-16/h2-10,18H,1H3,(H,17,19)
InChIKey
JSTYRNLZQMDVCH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
17
Fraction Csp3
0.06
Rotatable bonds
7
H-bond acceptors
8
H-bond donors
2
Molar refractivity
108.01
TPSA
148.37
LogP / Solubility
WLOGP
2.96
MLOGP
2.64
XLogP3
2.5
Consensus LogP
2.7
Log S (ESOL)
-4.5
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.43
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.91
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.39
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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