CAS RN: 913835-45-7
4-(2-MORPHOLINOETHYLCARBAMOYL)PHENYLBORONIC 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.20251225 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS913835-45-7
- Purity/Analytical Methods: >99.0%
913835-45-7 / [4-(2-morpholin-4-ylethylcarbamoyl)phenyl]boronic acid
Basic Information
CAS
913835-45-7
Multi CAS
No
Molecular Formula
BC13H19N2O4
Molecular Weight
278.110000
Exact Mass
278.143787
InChI
InChI=1S/C13H19BN2O4/c17-13(11-1-3-12(4-2-11)14(18)19)15-5-6-16-7-9-20-10-8-16/h1-4,18-19H,5-10H2,(H,15,17)
InChIKey
SFJAUBYTKBOMQG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
3
Molar refractivity
75.86
TPSA
82.03
LogP / Solubility
WLOGP
-1.57
MLOGP
-1.37
XLogP3
-1.57
Consensus LogP
-1.5
Log S (ESOL)
-0.47
Class (ESOL)
Very soluble
Log S (Ali)
-0.71
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.76
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)
-5.53
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
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