![CAS 560995-24-6 (4-AMINO-5-CYCLOHEXYL-4H-[1,2,4]TRIAZOL-3-YLSULFANYL)-ACETIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB2676016.gif)
CAS RN: 560995-24-6
(4-AMINO-5-CYCLOHEXYL-4H-[1,2,4]TRIAZOL-3-YLSULFANYL)-ACETIC ACID
- Product code: SSC-164051
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
560995-24-6 / 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid
Basic Information
CAS
560995-24-6
Multi CAS
No
Molecular Formula
C10H16N4O2S
Molecular Weight
256.330000
Exact Mass
256.099397
InChI
InChI=1S/C10H16N4O2S/c11-14-9(7-4-2-1-3-5-7)12-13-10(14)17-6-8(15)16/h7H,1-6,11H2,(H,15,16)
InChIKey
KNMIWOVWBTUIMK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
5
Fraction Csp3
0.7
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
2
Molar refractivity
64.36
TPSA
94.03
LogP / Solubility
WLOGP
1.22
MLOGP
1.08
XLogP3
1.8
Consensus LogP
1.37
Log S (ESOL)
-2.15
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.54
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.82
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.42
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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