![CAS 874460-07-8 Boronic acid, [4-[(4-pyridinylamino)carbonyl]phenyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/874460-07-8.gif)
CAS RN: 874460-07-8
Boronic acid, [4-[(4-pyridinylamino)carbonyl]phenyl]-
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250205 | 1g | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS874460-07-8
- Purity/Analytical Methods: >99.0%
874460-07-8 / [4-(pyridin-4-ylcarbamoyl)phenyl]boronic acid
Basic Information
CAS
874460-07-8
Multi CAS
No
Molecular Formula
BC12H11N2O3
Molecular Weight
242.040000
Exact Mass
242.086272
InChI
InChI=1S/C12H11BN2O3/c16-12(15-11-5-7-14-8-6-11)9-1-3-10(4-2-9)13(17)18/h1-8,17-18H,(H,14,15,16)
InChIKey
DLAXOQCAZJZZCD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
3
Molar refractivity
68.46
TPSA
82.45
LogP / Solubility
WLOGP
0.01
MLOGP
0.02
XLogP3
0.01
Consensus LogP
0.01
Log S (ESOL)
-1.64
Class (ESOL)
Soluble
Log S (Ali)
-1.55
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.6
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
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)
-4.19
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
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