CAS RN: 330461-64-8
SIRT2 Inhibitor II, AK-1
Product Availability
Choose a grade to view its available package options.
12 package records10 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250224 | 5mg / 10mg | Out of stock | 5-7 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251023 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20260611 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20251224 | 250mg | Out of stock | Inquiry | ||
| Batchno.20260216 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20251116 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20250422 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS330461-64-8
- Purity/Analytical Methods: >99.0%
330461-64-8 / 3-(azepan-1-ylsulfonyl)-N-(3-nitrophenyl)benzamide
Basic Information
CAS
330461-64-8
Multi CAS
No
Molecular Formula
C19H21N3O5S
Molecular Weight
403.500000
Exact Mass
403.120192
InChI
InChI=1S/C19H21N3O5S/c23-19(20-16-8-6-9-17(14-16)22(24)25)15-7-5-10-18(13-15)28(26,27)21-11-3-1-2-4-12-21/h5-10,13-14H,1-4,11-12H2,(H,20,23)
InChIKey
HAYBKCHPEBZNGW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
12
Fraction Csp3
0.32
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
1
Molar refractivity
104.72
TPSA
109.62
LogP / Solubility
WLOGP
3.41
MLOGP
3.03
XLogP3
2.9
Consensus LogP
3.11
Log S (ESOL)
-4.48
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.33
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.71
Class (SILICOS-IT)
Slightly soluble
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)
-2.76
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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![CAS 330473-50-2 5-(4-CHLOROPHENYL)-4-HYDRAZINOTHIENO[2,3-D]PYRIMIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB2108261(1).gif)
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