CAS RN: 500011-91-6
5-BROMO-2-(3-CHLORO-PYRIDIN-2-YL)-3,4-DIHYDRO-2H-PYRAZOLE-3-CARBOXYLIC ACID ETHYL ESTER
- Product code: SSC-156313
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 | Hong Kong | Inquiry |
500011-91-6 / ethyl 5-bromo-2-(3-chloro-2-pyridinyl)-3,4-dihydropyrazole-3-carboxylate
Basic Information
CAS
500011-91-6
Multi CAS
No
Molecular Formula
C11H11BRCLN3O2
Molecular Weight
332.580000
Exact Mass
330.972320
InChI
InChI=1S/C11H11BrClN3O2/c1-2-18-11(17)8-6-9(12)15-16(8)10-7(13)4-3-5-14-10/h3-5,8H,2,6H2,1H3
InChIKey
GUAZTUMVVYURLC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
73.13
TPSA
54.79
LogP / Solubility
WLOGP
2.59
MLOGP
2.29
XLogP3
2.8
Consensus LogP
2.56
Log S (ESOL)
-3.58
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.15
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.33
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.91
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
Customers Also Viewed
-
ETHYL 3-BROMO-1-(3-CHLOROPYRIDIN-2-YL)-1H-PYRAZOLE-5-CARBOXYLATE
- CAS RN: 500011-92-7
- Product Code: SSC-156314
-
TERT-BUTYL 4-[3-(HYDROXYMETHYL)BENZYL]TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATE
- CAS RN: 500013-39-8
- Product Code: starshine_CAS500013-39-8
- Purity/Analytical method: >99.0%
-
1-CBZ-4-(2-N-BOC-AMINO-ETHYL)-PIPERAZINE
- CAS RN: 500013-42-3
- Product Code: starshine_CAS500013-42-3
- Purity/Analytical method: >99.0%
-
2-((3-(3,6-dichloro-9H-carbazol-9-yl)-2-hydroxypropyl)amino)-2-(hydroxymethyl)propane-1,3-diol
- CAS RN: 500015-20-3
- Product Code: starshine_CAS500015-20-3
- Purity/Analytical method: >99.0%
-
-
3,4-DIFLUORO-N-HYDROXY-BENZAMIDINE
- CAS RN: 500024-74-8
- Product Code: starshine_CAS500024-74-8
- Purity/Analytical method: >99.0%
![CAS 500013-39-8 TERT-BUTYL 4-[3-(HYDROXYMETHYL)BENZYL]TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/500013-39-8.gif)
