CAS RN: 1256355-10-8
3-Bromo-5-morpholinophenylboronic 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.20260123 | 25mg / 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1256355-10-8
- Purity/Analytical Methods: >99.0%
1256355-10-8 / (3-bromo-5-morpholin-4-ylphenyl)boronic acid
Basic Information
CAS
1256355-10-8
Multi CAS
No
Molecular Formula
C10H13BBrNO3
Molecular Weight
285.930000
Exact Mass
285.017190
SMILES
B(C1=CC(=CC(=C1)Br)N2CCOCC2)(O)O
InChI
InChI=1S/C10H13BBrNO3/c12-9-5-8(11(14)15)6-10(7-9)13-1-3-16-4-2-13/h5-7,14-15H,1-4H2
InChIKey
UWNLKBOIZQUEHF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
67
TPSA
52.93
LogP / Solubility
WLOGP
-0.03
MLOGP
-0.02
XLogP3
-0.03
Consensus LogP
-0.03
Log S (ESOL)
-1.74
Class (ESOL)
Soluble
Log S (Ali)
-1.88
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.73
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)
-4.49
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
