CAS RN: 849630-88-2
(2-broMo-3-Methoxyphenyl)boronicacid
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.20250911 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS849630-88-2
- Purity/Analytical Methods: >99.0%
849630-88-2 / (2-bromo-3-methoxyphenyl)boronic acid
Basic Information
CAS
849630-88-2
Multi CAS
No
Molecular Formula
C7H8BBRO3
Molecular Weight
230.850000
Exact Mass
229.974990
InChI
InChI=1S/C7H8BBrO3/c1-12-6-4-2-3-5(7(6)9)8(10)11/h2-4,10-11H,1H3
InChIKey
INLNROXDMBMFKA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
50.52
TPSA
49.69
LogP / Solubility
WLOGP
0.14
MLOGP
0.12
XLogP3
0.14
Consensus LogP
0.13
Log S (ESOL)
-1.6
Class (ESOL)
Soluble
Log S (Ali)
-1.55
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.51
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)
-4.03
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
Customers Also Viewed
-
N-(2-benzoylphenyl)-2-bromo-2-methylpropanamide
- CAS RN: 849642-02-0
- Product Code: SSC-192727
-
N,2-Dimethyl-N-(4-methylphenyl)propanamide
- CAS RN: 849642-09-7
- Product Code: starshine_CAS849642-09-7
- Purity/Analytical method: >99.0%
-
Y 134
- CAS RN: 849662-80-2
- Product Code: starshine_CAS849662-80-2
- Purity/Analytical method: >99.0%
-
-
-
(3R,4S)-tert-Butyl 3-(bis(4-Methoxyphenyl)(phenyl)Methoxy)-4-((Methylsulfonyl)oxy)pyrrolidine-1-carboxylate
- CAS RN: 849674-11-9
- Product Code: SSC-192733
![CAS 849671-56-3 SPIRO[2.5]OCT-6-YL-METHANOL molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/849671-56-3.gif)
