CAS RN: 1107580-65-3
AKOS BRN-1183
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.20260105 | 250mg / 1g / 5g / 25g | Out of stock | 3-5 business days | Inquiry |
- Product code: SSC-011697
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 |
1107580-65-3 / (2-bromo-6-chlorophenyl)boronic acid
2-Bromo-6-chlorophenylboronic acid | (2-Bromo-6-chlorophenyl)boronic acid | MFCD08701777
Basic Information
CAS
1107580-65-3
Multi CAS
No
Molecular Formula
C6H5BBrClO2
Molecular Weight
235.270000
Exact Mass
233.925450
SMILES
B(C1=C(C=CC=C1Br)Cl)(O)O
InChI
InChI=1S/C6H5BBrClO2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,10-11H
InChIKey
FXNDJNORPGEJIP-UHFFFAOYSA-N
Synonyms
2-Bromo-6-chlorophenylboronic acid
(2-Bromo-6-chlorophenyl)boronic acid
MFCD08701777
(2-Bromo-6-chlorophenyl);boronic acid
(2-Bromo-6-chlorophenyl)boronicacid
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
48.98
TPSA
40.46
LogP / Solubility
WLOGP
0.78
MLOGP
0.69
XLogP3
0.78
Consensus LogP
0.75
Log S (ESOL)
-2.13
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.05
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.96
Class (SILICOS-IT)
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)
-3.6
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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