![CAS 565169-48-4 4-(2-METHYL-CYCLOHEXYL)-5-M-TOLYL-4H-[1,2,4]TRIAZOLE-3-THIOL molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB2271419.gif)
CAS RN: 565169-48-4
4-(2-METHYL-CYCLOHEXYL)-5-M-TOLYL-4H-[1,2,4]TRIAZOLE-3-THIOL
- Product code: SSC-164483
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
565169-48-4 / 4-(2-methylcyclohexyl)-3-(3-methylphenyl)-1H-1,2,4-triazole-5-thione
Basic Information
CAS
565169-48-4
Multi CAS
No
Molecular Formula
C16H21N3S
Molecular Weight
287.400000
Exact Mass
287.145619
InChI
InChI=1S/C16H21N3S/c1-11-6-5-8-13(10-11)15-17-18-16(20)19(15)14-9-4-3-7-12(14)2/h5-6,8,10,12,14H,3-4,7,9H2,1-2H3,(H,18,20)
InChIKey
LPNCAQYNYHSUOT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
11
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
84.25
TPSA
33.61
LogP / Solubility
WLOGP
4.67
MLOGP
4.12
XLogP3
4.2
Consensus LogP
4.33
Log S (ESOL)
-4.84
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.29
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.64
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.16
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
Customers Also Viewed
-
3-(2-CHLORO-ACETYLAMINO)-N-(3-TRIFLUOROMETHYL-PHENYL)-BENZAMIDE
- CAS RN: 565171-06-4
- Product Code: SSC-164485
-
2-MERCAPTO-3-PENTYL-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE
- CAS RN: 565171-27-9
- Product Code: SSC-164486
-
-
2-FLUORO-N-(4-HYDROXY-PHENYL)-N-METHYL-BENZENESULFONAMIDE
- CAS RN: 565172-42-1
- Product Code: SSC-164488
-
4-(4-FLUORO-PHENYLSULFANYL)-3-NITRO-BENZOIC ACID
- CAS RN: 565177-99-3
- Product Code: starshine_CAS565177-99-3
- Purity/Analytical method: >99.0%
-
3-[2-(4-Fluoro-phenyl)-ethyl]-2-mercapto-7-methyl-5,6,7,8-tetrahydro-3H-benzo[4,5]thieno[2,3-d]pyrimidin-4-one
- CAS RN: 565179-71-7
- Product Code: SSC-164489
![CAS 565171-27-9 2-MERCAPTO-3-PENTYL-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB1438174.gif)
![CAS 565179-71-7 3-[2-(4-Fluoro-phenyl)-ethyl]-2-mercapto-7-methyl-5,6,7,8-tetrahydro-3H-benzo[4,5]thieno[2,3-d]pyrimidin-4-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/565179-71-7.gif)