![CAS 896657-58-2 N-[4-(adamantan-1-yl)phenyl]-2-(4H-1,2,4-triazol-3-ylsulfanyl)acetamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/896657-58-2.gif)
CAS RN: 896657-58-2
N-[4-(adamantan-1-yl)phenyl]-2-(4H-1,2,4-triazol-3-ylsulfanyl)acetamide
Product Availability
Choose a grade to view its available package options.
9 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250128 | 100mg | Out of stock | 8-10 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251103 | 100mg | Out of stock | Inquiry | ||
| Batchno.20250526 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20250921 | 1g | Out of stock | Inquiry | ||
| Batchno.20250703 | 1mg | In stock | Shanghai | Inquiry | |
| Batchno.20260317 | 250mg | Out of stock | Inquiry | ||
| Batchno.20250610 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20260419 | 50mg | In stock | Shenzhen | Inquiry | |
| Batchno.20250815 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS896657-58-2
- Purity/Analytical Methods: >99.0%
896657-58-2 / N-[4-(1-adamantyl)phenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
Basic Information
CAS
896657-58-2
Multi CAS
No
Molecular Formula
C20H24N4OS
Molecular Weight
368.500000
Exact Mass
368.167083
InChI
InChI=1S/C20H24N4OS/c25-18(11-26-19-21-12-22-24-19)23-17-3-1-16(2-4-17)20-8-13-5-14(9-20)7-15(6-13)10-20/h1-4,12-15H,5-11H2,(H,23,25)(H,21,22,24)
InChIKey
UUKXOVBCMOZQNC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
11
Fraction Csp3
0.55
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
2
Molar refractivity
102.03
TPSA
70.67
LogP / Solubility
WLOGP
4
MLOGP
3.54
XLogP3
5.1
Consensus LogP
4.21
Log S (ESOL)
-4.63
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.47
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.98
Class (SILICOS-IT)
Slightly soluble
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)
-2.13
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
8
Customers Also Viewed
-
AKOS BBS-00006011
- CAS RN: 896662-47-8
- Product Code: starshine_CAS896662-47-8
- Purity/Analytical method: >99.0%
-
AKOS BBS-00006012
- CAS RN: 896662-50-3
- Product Code: starshine_CAS896662-50-3
- Purity/Analytical method: >99.0%
-
-
-
1H-Pyrrole-2-carboxaMide, 4-[2-[(2-chloro-4-fluorophenyl)aMino]-5-Methyl-4-pyriMidinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-
- CAS RN: 896720-20-0
- Product Code: starshine_CAS896720-20-0
- Purity/Analytical method: >99.0%
-
![CAS 896720-20-0 1H-Pyrrole-2-carboxaMide, 4-[2-[(2-chloro-4-fluorophenyl)aMino]-5-Methyl-4-pyriMidinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/896720-20-0.gif)
