CAS RN: 1007375-07-6
1-BroMo-3-(tert-butyl)-2-Methoxybenzene
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.20250808 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: SSC-001433
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 | Hong Kong | Inquiry |
1007375-07-6 / 1-bromo-3-tert-butyl-2-methoxybenzene
1-Bromo-3-(tert-butyl)-2-methoxybenzene | 1-bromo-3-tert-butyl-2-methoxybenzene | MFCD00233138
Basic Information
CAS
1007375-07-6
Multi CAS
No
Molecular Formula
C11H15BrO
Molecular Weight
243.140000
Exact Mass
242.030630
SMILES
CC(C)(C)C1=C(C(=CC=C1)Br)OC
InChI
InChI=1S/C11H15BrO/c1-11(2,3)8-6-5-7-9(12)10(8)13-4/h5-7H,1-4H3
InChIKey
PFCFOFFQECJGAQ-UHFFFAOYSA-N
Synonyms
1-Bromo-3-(tert-butyl)-2-methoxybenzene
1-bromo-3-tert-butyl-2-methoxybenzene
MFCD00233138
Benzene, 1-bromo-3-(1,1-dimethylethyl)-2-methoxy-
2-Bromo-6-(tert-butyl)anisole
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
59.39
TPSA
9.23
LogP / Solubility
WLOGP
3.76
MLOGP
3.31
XLogP3
4.3
Consensus LogP
3.79
Log S (ESOL)
-3.99
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.27
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.48
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.54
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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