CAS RN: 15936-75-1
7-BROMO-5-METHYL-1H-INDOLE-2-CARBOXYLIC ACID
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.20251123 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS15936-75-1
- Purity/Analytical Methods: >99.0%
15936-75-1 / 7-bromo-5-methyl-1H-indole-2-carboxylic acid
Basic Information
CAS
15936-75-1
Multi CAS
No
Molecular Formula
C10H8BrNO2
Molecular Weight
254.080000
Exact Mass
252.973840
SMILES
CC1=CC2=C(C(=C1)Br)NC(=C2)C(=O)O
InChI
InChI=1S/C10H8BrNO2/c1-5-2-6-4-8(10(13)14)12-9(6)7(11)3-5/h2-4,12H,1H3,(H,13,14)
InChIKey
FEKBHGAFULIULQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
2
Molar refractivity
57.7
TPSA
53.09
LogP / Solubility
WLOGP
2.94
MLOGP
2.59
XLogP3
3
Consensus LogP
2.84
Log S (ESOL)
-3.68
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.76
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.87
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)
-2.18
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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