CAS RN: 454675-76-4
13,6-N-SULFINYLACETAMIDOPENTACENE, 97
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250409 | 100mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS454675-76-4
- Purity/Analytical Methods: >99.0%
454675-76-4 / 1-(23-oxo-23lambda4-thia-24-azahexacyclo[10.10.2.02,11.04,9.013,22.015,20]tetracosa-2,4,6,8,10,13,15,17,19,21-decaen-24-yl)ethanone
Basic Information
CAS
454675-76-4
Multi CAS
No
Molecular Formula
C24H17NO2S
Molecular Weight
383.500000
Exact Mass
383.098000
InChI
InChI=1S/C24H17NO2S/c1-14(26)25-23-19-10-15-6-2-4-8-17(15)12-21(19)24(28(25)27)22-13-18-9-5-3-7-16(18)11-20(22)23/h2-13,23-24H,1H3
InChIKey
HIABOOSIYBUBKB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
20
Fraction Csp3
0.12
H-bond acceptors
2
Molar refractivity
112.24
TPSA
37.38
LogP / Solubility
WLOGP
5.01
MLOGP
4.43
XLogP3
4.3
Consensus LogP
4.58
Log S (ESOL)
-5.9
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.32
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.31
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.5
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
7
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