CAS RN: 1132935-63-7
ABT-333
Product Availability
Choose a grade to view its available package options.
9 package records5 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250201 | 10mg / 50mg / 100mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1132935-63-7
- Purity/Analytical Methods: >99.0%
1132935-63-7 / N-[6-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]naphthalen-2-yl]methanesulfonamide
Dasabuvir | ABT-333 | ABT333
Basic Information
CAS
1132935-63-7
Multi CAS
Yes
Molecular Formula
C26H27N3O5S
Molecular Weight
493.600000
Exact Mass
493.167142
SMILES
CC(C)(C)C1=CC(=CC(=C1OC)C2=CC3=C(C=C2)C=C(C=C3)NS(=O)(=O)C)N4C=CC(=O)NC4=O
InChI
InChI=1S/C26H27N3O5S/c1-26(2,3)22-15-20(29-11-10-23(30)27-25(29)31)14-21(24(22)34-4)18-7-6-17-13-19(28-35(5,32)33)9-8-16(17)12-18/h6-15,28H,1-5H3,(H,27,30,31)
InChIKey
NBRBXGKOEOGLOI-UHFFFAOYSA-N
Synonyms
Dasabuvir
ABT-333
ABT333
exviera
N-(6-(3-tert-Butyl-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2-methoxyphenyl)naphthalen-2-yl)methanesulfonamide
Computed Properties
Structural Parameters
Heavy atom count
35
Aromatic heavy atom count
22
Fraction Csp3
0.23
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
2
Molar refractivity
139.32
TPSA
110.26
LogP / Solubility
WLOGP
4.02
MLOGP
3.58
XLogP3
4.3
Consensus LogP
3.97
Log S (ESOL)
-5.57
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.51
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.81
Class (SILICOS-IT)
Insoluble
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
Yes
Log Kp (skin permeation)
-2.87
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
Safety & Transport
GHS Hazard Statements
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P273, and P501
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