CAS RN: 2222114-60-3
Cyclohexanecarboxylic acid, 4-(3-chloro-4-cyanophenoxy)-, trans-
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260312 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: SSC-106838
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 |
2222114-60-3 / 4-(3-chloro-4-cyanophenoxy)cyclohexane-1-carboxylic acid
Basic Information
CAS
2222114-60-3
Multi CAS
No
Molecular Formula
C14H14ClNO3
Molecular Weight
279.720000
Exact Mass
279.066221
SMILES
C1CC(CCC1C(=O)O)OC2=CC(=C(C=C2)C#N)Cl
InChI
InChI=1S/C14H14ClNO3/c15-13-7-12(6-3-10(13)8-16)19-11-4-1-9(2-5-11)14(17)18/h3,6-7,9,11H,1-2,4-5H2,(H,17,18)
InChIKey
URWXZLPRVMBAIC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
70.18
TPSA
70.32
LogP / Solubility
WLOGP
3.23
MLOGP
2.86
XLogP3
3
Consensus LogP
3.03
Log S (ESOL)
-3.65
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.19
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.52
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.13
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 2222114-64-7 1-Piperazinecarboxylic acid, 4-[2-(2,6-dioxo-3-piperidinyl)-2,3-dihydro-1,3-dioxo-1H-isoindol-5-yl]-, 1,1-dimethylethyl ester molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
1-Piperazinecarboxylic acid, 4-[2-(2,6-dioxo-3-piperidinyl)-2,3-dihydro-1,3-dioxo-1H-isoindol-5-yl]-, 1,1-dimethylethyl ester
- CAS RN: 2222114-64-7
- Product Code: SSC-106839
-
1H-Isoindole-1,3(2H)-dione, 2-(2,6-dioxo-3-piperidinyl)-4,5-difluoro-
- CAS RN: 2222115-19-5
- Product Code: SSC-106841
-
Benzoic acid, 4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2-methyl-, methyl ester
- CAS RN: 2222115-55-9
- Product Code: SSC-106845
-
1-Piperazinecarboxylic acid, 4-[2-(2,6-dioxo-3-piperidinyl)-2,3-dihydro-1-oxo-1H-isoindol-5-yl]-, 1,1-dimethylethyl ester
- CAS RN: 2222120-27-4
- Product Code: SSC-106849
-
2,6-Piperidinedione, 3-[1,3-dihydro-1-oxo-5-(1-piperazinyl)-2H-isoindol-2-yl]-
- CAS RN: 2222120-30-9
- Product Code: SSC-106850
-
2,6-Piperidinedione, 3-[1,3-dihydro-1-oxo-5-(1-piperazinyl)-2H-isoindol-2-yl]-, hydrochloride (1:1)
- CAS RN: 2222120-31-0
- Product Code: SSC-106851
![CAS 2222114-64-7 1-Piperazinecarboxylic acid, 4-[2-(2,6-dioxo-3-piperidinyl)-2,3-dihydro-1,3-dioxo-1H-isoindol-5-yl]-, 1,1-dimethylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2222114-64-7.gif)
![CAS 2222115-55-9 Benzoic acid, 4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2-methyl-, methyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2222115-55-9.gif)
![CAS 2222120-27-4 1-Piperazinecarboxylic acid, 4-[2-(2,6-dioxo-3-piperidinyl)-2,3-dihydro-1-oxo-1H-isoindol-5-yl]-, 1,1-dimethylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2222120-27-4.gif)
![CAS 2222120-30-9 2,6-Piperidinedione, 3-[1,3-dihydro-1-oxo-5-(1-piperazinyl)-2H-isoindol-2-yl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2222120-30-9.gif)
![CAS 2222120-31-0 2,6-Piperidinedione, 3-[1,3-dihydro-1-oxo-5-(1-piperazinyl)-2H-isoindol-2-yl]-, hydrochloride (1:1) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2222120-31-0.gif)