CAS RN: 500011-86-9
3-BroMo-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-carboxylic acid
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock2 grade groups
- Product code: SSC-156311
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: 100g
- 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 |
|---|---|---|---|---|
| 100g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
500011-86-9 / 3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylic acid
Basic Information
CAS
500011-86-9
Multi CAS
No
Molecular Formula
C9H5BRCLN3O2
Molecular Weight
302.510000
Exact Mass
300.925370
InChI
InChI=1S/C9H5BrClN3O2/c10-7-4-6(9(15)16)14(13-7)8-5(11)2-1-3-12-8/h1-4H,(H,15,16)
InChIKey
FORBXGROTPOMEH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
11
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
61.03
TPSA
68.01
LogP / Solubility
WLOGP
2.38
MLOGP
2.11
XLogP3
2.7
Consensus LogP
2.4
Log S (ESOL)
-3.59
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.76
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.84
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.87
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
ETHYL 1-(3-CHLORO-2-PYRIDINYL)-3-PYRAZOLIDINONE-5-CARBOXYLATE
- CAS RN: 500011-88-1
- Product Code: SSC-156312
-
5-BROMO-2-(3-CHLORO-PYRIDIN-2-YL)-3,4-DIHYDRO-2H-PYRAZOLE-3-CARBOXYLIC ACID ETHYL ESTER
- CAS RN: 500011-91-6
- Product Code: SSC-156313
-
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%
![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)
