CAS RN: 1383718-29-3
Necrox-5 (methanesulfonate)
Product Availability
Choose a grade to view its available package options.
8 package records7 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250813 | 5mg / 10mg | Out of stock | 5-7 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260225 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250402 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20251212 | 1mg | In stock | Shanghai | Inquiry | |
| Batchno.20250301 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20251230 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20250412 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20250717 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1383718-29-3
- Purity/Analytical Methods: >99.0%
1383718-29-3 / 5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-(oxan-4-ylmethyl)-2-phenyl-1H-indol-7-amine;methanesulfonic acid
Basic Information
CAS
1383718-29-3
Multi CAS
No
Molecular Formula
C27H39N3O9S3
Molecular Weight
645.800000
Exact Mass
645.184843
SMILES
CS(=O)(=O)O.CS(=O)(=O)O.C1COCCC1CNC2=CC(=CC3=C2NC(=C3)C4=CC=CC=C4)CN5CCS(=O)(=O)CC5
InChI
InChI=1S/C25H31N3O3S.2CH4O3S/c29-32(30)12-8-28(9-13-32)18-20-14-22-16-23(21-4-2-1-3-5-21)27-25(22)24(15-20)26-17-19-6-10-31-11-7-19;2*1-5(2,3)4/h1-5,14-16,19,26-27H,6-13,17-18H2;2*1H3,(H,2,3,4)
InChIKey
ZWWWDIWEZYRVMB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
42
Aromatic heavy atom count
15
Fraction Csp3
0.48
Rotatable bonds
6
H-bond acceptors
9
H-bond donors
4
Molar refractivity
164.64
TPSA
183.17
LogP / Solubility
WLOGP
2.91
MLOGP
2.62
XLogP3
2.91
Consensus LogP
2.81
Log S (ESOL)
-5.55
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.96
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.99
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-4.59
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
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