Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 5g, 10g, 0.1g, 0.25g, 25g, 100g
- Available purity: >97%
- Inventory rows with stock: 5
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | >97% | 5 In Stock | Hong Kong | Inquiry |
| 5g | >97% | 5 In Stock | Beijing | Inquiry |
| 10g | >97% | 3 In Stock | Hong Kong | Inquiry |
| 0.1g | >97% | 2 In Stock | Shanghai | Inquiry |
| 0.25g | >97% | 2 In Stock | Shenzhen | Inquiry |
| 25g | >97% | 0 Out of Stock | Shanghai | Inquiry |
| 100g | >97% | 0 Out of Stock | Shenzhen | Inquiry |
313350-82-2 / 4-iodo-1-propan-2-ylpyrazole
Basic Information
CAS
313350-82-2
Multi CAS
No
Molecular Formula
C6H9In2
Molecular Weight
236.050000
Exact Mass
235.981050
InChI
InChI=1S/C6H9IN2/c1-5(2)9-4-6(7)3-8-9/h3-5H,1-2H3
InChIKey
CFXNVDUEBJYAAZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
45.33
TPSA
17.82
LogP / Solubility
WLOGP
2.07
MLOGP
1.82
XLogP3
1.6
Consensus LogP
1.83
Log S (ESOL)
-2.95
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.99
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.03
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)
-2.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
(6bR,10aS)-Ethyl 3-methyl-2-oxo-2,3,6b,7,10,10a-hexahydro-1H-pyrido[3′,4′:4,5]pyrrolo[1,2,3-de]quinoxaline-8(9H)-carboxylate
- CAS RN: 313369-25-4
- Product Code: SSC-136674
-
(6bR,10aS)-Ethyl 3-methyl-2,3,6b,7,10,10a-hexahydro-1H-pyrido[3′,4′:4,5]pyrrolo[1,2,3-de]quinoxaline-8(9H)-carboxylate
- CAS RN: 313369-26-5
- Product Code: SSC-136675
-
SALOR-INT L224693-1EA
- CAS RN: 313380-27-7
- Product Code: starshine_CAS313380-27-7
- Purity/Analytical method: >99.0%
-
Reversan
- CAS RN: 313397-13-6
- Product Code: starshine_CAS313397-13-6
- Purity/Analytical method: >99.0%
![CAS 313369-25-4 (6bR,10aS)-Ethyl 3-methyl-2-oxo-2,3,6b,7,10,10a-hexahydro-1H-pyrido[3′,4′:4,5]pyrrolo[1,2,3-de]quinoxaline-8(9H)-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/313369-25-4.gif)
![CAS 313369-26-5 (6bR,10aS)-Ethyl 3-methyl-2,3,6b,7,10,10a-hexahydro-1H-pyrido[3′,4′:4,5]pyrrolo[1,2,3-de]quinoxaline-8(9H)-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/313369-26-5.gif)
