CAS RN: 480424-63-3
4-ETHOXY-3-FORMYLPHENYLBORONIC ACID
Product Availability
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3 package records3 with current stock1 grade group
- Product code: starshine_CAS480424-63-3
- Purity/Analytical Methods: >99.0%
480424-63-3 / (4-ethoxy-3-formylphenyl)boronic acid
Basic Information
CAS
480424-63-3
Multi CAS
Yes
Molecular Formula
BC9H11O4
Molecular Weight
193.990000
Exact Mass
194.075039
InChI
InChI=1S/C9H11BO4/c1-2-14-9-4-3-8(10(12)13)5-7(9)6-11/h3-6,12-13H,2H2,1H3
InChIKey
ODRRAKCLFURNFU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
52.82
TPSA
66.76
LogP / Solubility
WLOGP
-0.42
MLOGP
-0.37
XLogP3
-0.42
Consensus LogP
-0.4
Log S (ESOL)
-0.83
Class (ESOL)
Very soluble
Log S (Ali)
-0.85
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.05
Class (SILICOS-IT)
Soluble
ADME
GI absorption
Low
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)
-4.2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 480424-98-4 N-[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]SUCCINAMIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/480424-98-4.gif)
