![CAS 1312610-07-3 Ethyl 7-bromobenzo[d][1,3]dioxole-4-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1312610-07-3.gif)
CAS RN: 1312610-07-3
Ethyl 7-bromobenzo[d][1,3]dioxole-4-carboxylate
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260610 | 100mg | In stock | Shanghai, Shenzhen, Tianjin | Inquiry |
| Batchno.20250522 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20250812 | 250mg | In stock | Shanghai, Chengdu | Inquiry |
| Batchno.20250114 | 50mg | In stock | Shanghai, Shenzhen | Inquiry |
| Batchno.20260427 | 5g | Out of stock | Inquiry |
- Product code: SSC-038010
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 | Shenzhen | Inquiry |
1312610-07-3 / ethyl 7-bromo-1,3-benzodioxole-4-carboxylate
Basic Information
CAS
1312610-07-3
Multi CAS
No
Molecular Formula
C10H9BrO4
Molecular Weight
273.080000
Exact Mass
271.968420
SMILES
CCOC(=O)C1=C2C(=C(C=C1)Br)OCO2
InChI
InChI=1S/C10H9BrO4/c1-2-13-10(12)6-3-4-7(11)9-8(6)14-5-15-9/h3-4H,2,5H2,1H3
InChIKey
RMOIBSUSLJZWAM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
56.22
TPSA
44.76
LogP / Solubility
WLOGP
2.35
MLOGP
2.08
XLogP3
2.6
Consensus LogP
2.34
Log S (ESOL)
-3.18
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.5
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.63
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.71
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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