CAS RN: 2408430-22-6
2-Amino-3-bromo-pyridine-5-boronic acid
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.20250827 | 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2408430-22-6
- Purity/Analytical Methods: >99.0%
2408430-22-6 / (6-amino-5-bromo-3-pyridinyl)boronic acid
Basic Information
CAS
2408430-22-6
Multi CAS
No
Molecular Formula
C5H6BBrN2O2
Molecular Weight
216.830000
Exact Mass
215.970570
SMILES
B(C1=CC(=C(N=C1)N)Br)(O)O
InChI
InChI=1S/C5H6BBrN2O2/c7-4-1-3(6(10)11)2-9-5(4)8/h1-2,10-11H,(H2,8,9)
InChIKey
XKIVIKLHZICDAV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
3
Molar refractivity
46.18
TPSA
79.37
LogP / Solubility
WLOGP
-0.89
MLOGP
-0.78
XLogP3
-0.89
Consensus LogP
-0.85
Log S (ESOL)
-0.96
Class (ESOL)
Very soluble
Log S (Ali)
-0.69
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.45
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-4.68
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
-
Cyanine7 NHS ester
- CAS RN: 2408482-09-5
- Product Code: starshine_CAS2408482-09-5
- Purity/Analytical method: >99.0%
-
-
-
Mal-PEG4-Glu(TFP ester)-NH-m-PEG24
- CAS RN: 2408741-87-5
- Product Code: starshine_CAS2408741-87-5
- Purity/Analytical method: >99.0%
-
1-Piperidinecarboxylic acid, 2-[4-(methoxycarbonyl)phenyl]-4-oxo-, phenylmethyl ester, (2S)-
- CAS RN: 2408761-20-4
- Product Code: SSC-117320
-
![CAS 2408761-20-4 1-Piperidinecarboxylic acid, 2-[4-(methoxycarbonyl)phenyl]-4-oxo-, phenylmethyl ester, (2S)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2408761-20-4.gif)
