CAS RN: 1337916-18-3
B-(6-bromo-2-naphthalenyl)-Boronic acid
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260223 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250325 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20260630 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20250607 | 250mg | In stock | Shanghai, Tianjin | Inquiry | |
| Batchno.20250923 | 5g | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1337916-18-3
- Purity/Analytical Methods: >99.0%
1337916-18-3 / (6-bromonaphthalen-2-yl)boronic acid
Basic Information
CAS
1337916-18-3
Multi CAS
No
Molecular Formula
C10H8BBrO2
Molecular Weight
250.890000
Exact Mass
249.980070
SMILES
B(C1=CC2=C(C=C1)C=C(C=C2)Br)(O)O
InChI
InChI=1S/C10H8BBrO2/c12-10-4-2-7-5-9(11(13)14)3-1-8(7)6-10/h1-6,13-14H
InChIKey
JOSJENCQBZHUDM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
61.47
TPSA
40.46
LogP / Solubility
WLOGP
1.28
MLOGP
1.13
XLogP3
1.28
Consensus LogP
1.23
Log S (ESOL)
-2.67
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.54
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.47
Class (SILICOS-IT)
Moderately 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)
-3.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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