CAS RN: 1912445-95-4
4-bromo-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide
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.20250314 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1912445-95-4
- Purity/Analytical Methods: >99.0%
1912445-95-4 / 4-bromo-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide
Basic Information
CAS
1912445-95-4
Multi CAS
No
Molecular Formula
C11H10BrFN2O
Molecular Weight
285.110000
Exact Mass
283.996050
SMILES
CC1=C(NC2=C1C(=C(C=C2C(=O)N)F)Br)C
InChI
InChI=1S/C11H10BrFN2O/c1-4-5(2)15-10-6(11(14)16)3-7(13)9(12)8(4)10/h3,15H,1-2H3,(H2,14,16)
InChIKey
DUEDAXAIFPJZLS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.18
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
2
Molar refractivity
63.95
TPSA
58.88
LogP / Solubility
WLOGP
2.79
MLOGP
2.46
XLogP3
2.5
Consensus LogP
2.58
Log S (ESOL)
-3.71
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.91
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.95
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.48
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
-
4-broMo-5-fluoro-2,3-diMethyl-1H-indole-7-carboxylic acid
- CAS RN: 1912445-96-5
- Product Code: SSC-089614
-
4-bromo-5-fluoro-2,3-dimethyl-1H-indole-7-carbonitrile
- CAS RN: 1912446-10-6
- Product Code: SSC-089615
-
(E)-2′-(p-tolyldiazenyl)-[1,1′:4′,1”-terphenyl]-4,4”-dicarboxylic acid
- CAS RN: 1912470-86-0
- Product Code: starshine_CAS1912470-86-0
- Purity/Analytical method: >99.0%
-
JQEZ5
- CAS RN: 1913252-04-6
- Product Code: starshine_CAS1913252-04-6
- Purity/Analytical method: >99.0%
-
WRG-28
- CAS RN: 1913291-02-7
- Product Code: starshine_CAS1913291-02-7
- Purity/Analytical method: >99.0%
-
eCF506
- CAS RN: 1914078-41-3
- Product Code: starshine_CAS1914078-41-3
- Purity/Analytical method: >99.0%
![CAS 1912470-86-0 (E)-2′-(p-tolyldiazenyl)-[1,1′:4′,1”-terphenyl]-4,4”-dicarboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1912470-86-0.gif)
