CAS RN: 157952-85-7
2-IODO-4,4-DIMETHYL-CYCLOHEX-2-ENONE
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.20250604 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-066625
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 | Shanghai | Inquiry |
157952-85-7 / 2-iodo-4,4-dimethylcyclohex-2-en-1-one
Basic Information
CAS
157952-85-7
Multi CAS
No
Molecular Formula
C8H11IO
Molecular Weight
250.080000
Exact Mass
249.985460
SMILES
CC1(CCC(=O)C(=C1)I)C
InChI
InChI=1S/C8H11IO/c1-8(2)4-3-7(10)6(9)5-8/h5H,3-4H2,1-2H3
InChIKey
GCYIUYNQBWWXBZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.62
H-bond acceptors
1
Molar refractivity
50.13
TPSA
17.07
LogP / Solubility
WLOGP
2.69
MLOGP
2.38
XLogP3
2.4
Consensus LogP
2.49
Log S (ESOL)
-3.09
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.56
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.52
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.33
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 157974-36-2 N6-[2-(2-Furanyl)-2-oxoethyl]-L-lysine dihydrochloride molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
N6-[2-(2-Furanyl)-2-oxoethyl]-L-lysine dihydrochloride
- CAS RN: 157974-36-2
- Product Code: starshine_CAS157974-36-2
- Purity/Analytical method: >99.0%
-
ethyl 4-chloro-6-methylpyrimidine-5-carboxylate
- CAS RN: 157981-60-7
- Product Code: SSC-066632
-
SULFO-N-SUCCINIMIDYL 4-MALEIMIDO-
- CAS RN: 158018-81-6
- Product Code: starshine_CAS158018-81-6
- Purity/Analytical method: >99.0%
-
tert-Butyl2-(dihydrofuran-3(2H)-ylidene)hydrazinecarboxylate
- CAS RN: 158020-60-1
- Product Code: SSC-066654
-
2-(2-HYDROXY-PHENYL)-3H-BENZOIMIDAZOLE-5-CARBOXYLIC ACID
- CAS RN: 158040-76-7
- Product Code: starshine_CAS158040-76-7
- Purity/Analytical method: >99.0%
-
![CAS 157974-36-2 N6-[2-(2-Furanyl)-2-oxoethyl]-L-lysine dihydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/157974-36-2.gif)
