CAS RN: 849062-23-3
3-BROMO-5-METHYL-2-(3′-METHOXYBENZYLOXY&
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.20250720 | 50mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS849062-23-3
- Purity/Analytical Methods: >99.0%
849062-23-3 / [3-bromo-2-[(3-methoxyphenyl)methoxy]-5-methylphenyl]boronic acid
Basic Information
CAS
849062-23-3
Multi CAS
No
Molecular Formula
C15H16BBRO4
Molecular Weight
351.000000
Exact Mass
350.032500
InChI
InChI=1S/C15H16BBrO4/c1-10-6-13(16(18)19)15(14(17)7-10)21-9-11-4-3-5-12(8-11)20-2/h3-8,18-19H,9H2,1-2H3
InChIKey
KTEDZUFTBUUJLG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.2
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
2
Molar refractivity
86.03
TPSA
58.92
LogP / Solubility
WLOGP
2.02
MLOGP
1.8
XLogP3
2.02
Consensus LogP
1.95
Log S (ESOL)
-3.38
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.9
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.22
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.42
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
2.5
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