CAS RN: 1089318-91-1
9-Anthracenecarboxylic acid, 10-broMo-, ethyl ester
Product Availability
Choose a grade to view its available package options.
5 package records3 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250416 | 100mg | Out of stock | Inquiry | ||
| Batchno.20250628 | 100mg / 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20260414 | 1g | In stock | Shenzhen, Tianjin | Inquiry | |
| Batchno.20250419 | 250mg | In stock | Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry | |
| Batchno.20250412 | 5g | In stock | Shenzhen | Inquiry |
- Product code: SSC-010132
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Beijing | Inquiry |
1089318-91-1 / ethyl 10-bromoanthracene-9-carboxylate
Ethyl 10-bromoanthracene-9-carboxylate | Ethyl 10-Bromo-9-anthracenecarboxylate | MFCD22571679
Basic Information
CAS
1089318-91-1
Multi CAS
No
Molecular Formula
C17H13BrO2
Molecular Weight
329.200000
Exact Mass
328.009890
SMILES
CCOC(=O)C1=C2C=CC=CC2=C(C3=CC=CC=C31)Br
InChI
InChI=1S/C17H13BrO2/c1-2-20-17(19)15-11-7-3-5-9-13(11)16(18)14-10-6-4-8-12(14)15/h3-10H,2H2,1H3
InChIKey
CGVWQGPVBMLCSL-UHFFFAOYSA-N
Synonyms
Ethyl 10-bromoanthracene-9-carboxylate
Ethyl 10-Bromo-9-anthracenecarboxylate
MFCD22571679
9-Anthracenecarboxylic acid, 10-broMo-, ethyl ester
C17H13BrO2
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
14
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
85.11
TPSA
26.3
LogP / Solubility
WLOGP
4.93
MLOGP
4.36
XLogP3
5.3
Consensus LogP
4.86
Log S (ESOL)
-5.37
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.82
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.13
Class (SILICOS-IT)
Insoluble
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)
-1.23
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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