![CAS 916766-83-1 3-[4-(chloromethyl)phenyl]-1-methyl-1h-pyrazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/916766-83-1.gif)
CAS RN: 916766-83-1
3-[4-(chloromethyl)phenyl]-1-methyl-1h-pyrazole
- Product code: SSC-205047
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
916766-83-1 / 3-[4-(chloromethyl)phenyl]-1-methylpyrazole
Basic Information
CAS
916766-83-1
Multi CAS
Yes
Molecular Formula
C11H11CLN2
Molecular Weight
206.670000
Exact Mass
206.061076
InChI
InChI=1S/C11H11ClN2/c1-14-7-6-11(13-14)10-4-2-9(8-12)3-5-10/h2-7H,8H2,1H3
InChIKey
YLJMPTWMRVXTQQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
11
Fraction Csp3
0.18
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
58.2
TPSA
17.82
LogP / Solubility
WLOGP
2.83
MLOGP
2.49
XLogP3
2.3
Consensus LogP
2.54
Log S (ESOL)
-3.35
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.59
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.97
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 916766-87-5 2-[3-(Dimethylamino)propoxy]benzylamine molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
2-[3-(Dimethylamino)propoxy]benzylamine
- CAS RN: 916766-87-5
- Product Code: starshine_CAS916766-87-5
- Purity/Analytical method: >99.0%
-
-
4-ChloroMethyl-N-(1H-pyrazol-4-yl)- benzaMide, 98+% C11H10ClN3O, MW: 235.67
- CAS RN: 916791-22-5
- Product Code: starshine_CAS916791-22-5
- Purity/Analytical method: >99.0%
-
(3-Hydroxy-piperidin-1-yl)-thiophen-3-yl-Methanone, 98+% C10H13NO2S, MW: 211.28
- CAS RN: 916791-29-2
- Product Code: starshine_CAS916791-29-2
- Purity/Analytical method: >99.0%
-
(3-HydroxyMethyl-piperidin-1-yl)-thiophen-3-yl-Methanone, 98+% C11H15NO2S, MW: 225.31
- CAS RN: 916791-30-5
- Product Code: starshine_CAS916791-30-5
- Purity/Analytical method: >99.0%
-
1-(4-Hydroxy-piperidin-1-yl)-2-thiophen-3-yl-ethanone, 98+% C11H15NO2S, MW: 225.31
- CAS RN: 916791-31-6
- Product Code: starshine_CAS916791-31-6
- Purity/Analytical method: >99.0%
![CAS 916766-87-5 2-[3-(Dimethylamino)propoxy]benzylamine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/916766-87-5.gif)
