CAS RN: 2248181-61-3
Ethyl 5-(5-bromothiophen-2-yl)-1H-pyrazole-3-carboxylate
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250604 | 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2248181-61-3
- Purity/Analytical Methods: >99.0%
2248181-61-3 / ethyl 5-(5-bromothiophen-2-yl)-1H-pyrazole-3-carboxylate
Basic Information
CAS
2248181-61-3
Multi CAS
No
Molecular Formula
C10H9BrN2O2S
Molecular Weight
301.160000
Exact Mass
299.956810
SMILES
CCOC(=O)C1=NNC(=C1)C2=CC=C(S2)Br
InChI
InChI=1S/C10H9BrN2O2S/c1-2-15-10(14)7-5-6(12-13-7)8-3-4-9(11)16-8/h3-5H,2H2,1H3,(H,12,13)
InChIKey
NPOMLOPZUYNICW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.2
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
65.56
TPSA
54.98
LogP / Solubility
WLOGP
3.08
MLOGP
2.72
XLogP3
3.2
Consensus LogP
3
Log S (ESOL)
-3.91
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.25
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.53
Class (SILICOS-IT)
Slightly 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)
-2.37
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
-
-
2,4(1H,3H)-Quinazolinedione, 7-bromo-6,8-difluoro-
- CAS RN: 2248301-65-5
- Product Code: SSC-109928
-
7-bromo-2,4-dichloro-6,8-difluoroquinazoline
- CAS RN: 2248318-27-4
- Product Code: SSC-109933
-
7,7-difluorobicyclo[4.1.0]heptane-1-carboxylic acid
- CAS RN: 2248351-67-7
- Product Code: starshine_CAS2248351-67-7
- Purity/Analytical method: >99.0%
-
INDEX NAME NOT YET ASSIGNED
- CAS RN: 2248462-00-0
- Product Code: starshine_CAS2248462-00-0
- Purity/Analytical method: >99.0%
-
potassium trifluoro({[4-(trifluoromethyl)phenyl]methyl})boranuide
- CAS RN: 2248620-16-6
- Product Code: SSC-109972
![CAS 2248351-67-7 7,7-difluorobicyclo[4.1.0]heptane-1-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2248351-67-7.gif)
![CAS 2248620-16-6 potassium trifluoro({[4-(trifluoromethyl)phenyl]methyl})boranuide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2248620-16-6.gif)