CAS RN: 1704069-57-7
(3-((3-Methoxyphenyl)carbaMoyl)phenyl)boronic acid
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250623 | 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1704069-57-7
- Purity/Analytical Methods: >99.0%
1704069-57-7 / [3-[(3-methoxyphenyl)carbamoyl]phenyl]boronic acid
Basic Information
CAS
1704069-57-7
Multi CAS
No
Molecular Formula
C14H14BNO4
Molecular Weight
271.080000
Exact Mass
271.101588
SMILES
B(C1=CC(=CC=C1)C(=O)NC2=CC(=CC=C2)OC)(O)O
InChI
InChI=1S/C14H14BNO4/c1-20-13-7-3-6-12(9-13)16-14(17)10-4-2-5-11(8-10)15(18)19/h2-9,18-19H,1H3,(H,16,17)
InChIKey
WDLAMKPWOUMLHK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
3
Molar refractivity
77.21
TPSA
78.79
LogP / Solubility
WLOGP
0.63
MLOGP
0.56
XLogP3
0.63
Consensus LogP
0.61
Log S (ESOL)
-2.1
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.24
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.42
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)
-3.93
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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