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 |
1202781-34-7 / 1-ethyl-3-iodopyrazole
1-Ethyl-3-iodopyrazole | 1-Ethyl-3-iodo-1H-pyrazole | 1-ETHYL-3-IODO PYRAZOLE
Basic Information
CAS
1202781-34-7
Multi CAS
No
Molecular Formula
C5H7IN2
Molecular Weight
222.030000
Exact Mass
221.965400
SMILES
CCN1C=CC(=N1)I
InChI
InChI=1S/C5H7IN2/c1-2-8-4-3-5(6)7-8/h3-4H,2H2,1H3
InChIKey
ZGIUXAGBPIWZKD-UHFFFAOYSA-N
Synonyms
1-Ethyl-3-iodopyrazole
1-Ethyl-3-iodo-1H-pyrazole
1-ETHYL-3-IODO PYRAZOLE
MFCD12756564
1-ethyl-3-iodo-pyrazole
Computed Properties
Structural Parameters
Heavy atom count
8
Aromatic heavy atom count
5
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
40.62
TPSA
17.82
LogP / Solubility
WLOGP
1.51
MLOGP
1.33
XLogP3
1.2
Consensus LogP
1.35
Log S (ESOL)
-2.56
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.47
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.47
Class (SILICOS-IT)
Moderately 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)
-3
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
-
![CAS 1202794-01-1 tert-butyl-N-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)allyl]carbamate molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
tert-butyl-N-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)allyl]carbamate
- CAS RN: 1202794-01-1
- Product Code: SSC-021144
-
4-BENZYL 1-TERT-BUTYL 2-(AMINOMETHYL)PIPERAZINE-1,4-DICARBOXYLATE
- CAS RN: 1202800-72-3
- Product Code: SSC-021146
-
N-(2-Methoxyethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine
- CAS RN: 1202805-24-0
- Product Code: SSC-021147
-
2-(4-Hydroxypiperidin-1-yl)pyrimidine-5-boronic acid pinacol ester
- CAS RN: 1202805-26-2
- Product Code: SSC-021148
-
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(2R,3R,5R,8R,9R,10R,12R,13R,14R,17S)-2,12-dihydroxy-4,4,8,10,14-pentamethyl-17-(6-methylhepta-1,5-dien-2-yl)-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
- CAS RN: 1202868-75-4
- Product Code: starshine_CAS1202868-75-4
- Purity/Analytical method: >99.0%
-
![CAS 1202794-01-1 tert-butyl-N-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)allyl]carbamate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1202794-01-1.gif)
![CAS 1202868-75-4 (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(2R,3R,5R,8R,9R,10R,12R,13R,14R,17S)-2,12-dihydroxy-4,4,8,10,14-pentamethyl-17-(6-methylhepta-1,5-dien-2-yl)-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1202868-75-4.gif)
![CAS 1202879-00-2 7-Bromo-2-chlorobenzo[d]oxazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1202879-00-2.gif)