CAS RN: 1215281-19-8
YK-3-237
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.20250712 | 5mg / 10mg / 25mg / 50mg / 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1215281-19-8
- Purity/Analytical Methods: >99.0%
1215281-19-8 / [2-methoxy-5-[(E)-3-oxo-3-(3,4,5-trimethoxyphenyl)prop-1-enyl]phenyl]boronic acid
Basic Information
CAS
1215281-19-8
Multi CAS
No
Molecular Formula
C19H21BO7
Molecular Weight
372.200000
Exact Mass
372.138033
SMILES
B(C1=C(C=CC(=C1)/C=C/C(=O)C2=CC(=C(C(=C2)OC)OC)OC)OC)(O)O
InChI
InChI=1S/C19H21BO7/c1-24-16-8-6-12(9-14(16)20(22)23)5-7-15(21)13-10-17(25-2)19(27-4)18(11-13)26-3/h5-11,22-23H,1-4H3/b7-5+
InChIKey
AKNGHUAJAODDJA-FNORWQNLSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.21
Rotatable bonds
8
H-bond acceptors
7
H-bond donors
2
Molar refractivity
102.28
TPSA
94.45
LogP / Solubility
WLOGP
1.3
MLOGP
1.16
XLogP3
1.3
Consensus LogP
1.25
Log S (ESOL)
-2.77
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.55
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.12
Class (SILICOS-IT)
Slightly 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)
-4.07
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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