CAS RN: 1923237-13-1
Ethyl 5-bromo-6-chloro-1H-indole-2-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.20260131 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-090009
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 | Beijing | Inquiry |
1923237-13-1 / ethyl 5-bromo-6-chloro-1H-indole-2-carboxylate
Basic Information
CAS
1923237-13-1
Multi CAS
No
Molecular Formula
C11H9BrClNO2
Molecular Weight
302.550000
Exact Mass
300.950520
SMILES
CCOC(=O)C1=CC2=CC(=C(C=C2N1)Cl)Br
InChI
InChI=1S/C11H9BrClNO2/c1-2-16-11(15)10-4-6-3-7(12)8(13)5-9(6)14-10/h3-5,14H,2H2,1H3
InChIKey
OVKPFPBSIRMAST-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.18
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
66.97
TPSA
42.09
LogP / Solubility
WLOGP
3.76
MLOGP
3.32
XLogP3
3.9
Consensus LogP
3.66
Log S (ESOL)
-4.37
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.76
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.99
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.9
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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