CAS RN: 2374313-54-7
SIS17
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.20260424 | 5mg / 10mg / 50mg | Confirm by inquiry | Shanghai, Chongqing | Inquiry |
- Product code: starshine_CAS2374313-54-7
- Purity/Analytical Methods: >99.0%
2374313-54-7 / N'-hexadecylthiophene-2-carbohydrazide
Basic Information
CAS
2374313-54-7
Multi CAS
No
Molecular Formula
C21H38N2OS
Molecular Weight
366.600000
Exact Mass
366.270485
SMILES
CCCCCCCCCCCCCCCCNNC(=O)C1=CC=CS1
InChI
InChI=1S/C21H38N2OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-22-23-21(24)20-17-16-19-25-20/h16-17,19,22H,2-15,18H2,1H3,(H,23,24)
InChIKey
HSHXDCVZWHOWCS-UHFFFAOYSA-N
Physical Properties
Physical Description
Slightly hygroscopic white or slightly yellowish or greyish odourless and tasteless, granular or fibrous powder
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
5
Fraction Csp3
0.76
Rotatable bonds
17
H-bond acceptors
3
H-bond donors
2
Molar refractivity
110.1
TPSA
41.13
LogP / Solubility
WLOGP
6.46
MLOGP
5.71
XLogP3
8.7
Consensus LogP
6.96
Log S (ESOL)
-5.21
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.23
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.45
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.37
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
2.5
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