CAS RN: 1256346-07-2
3-(Cyclopentyloxy)-5-methylphenylboronic 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.20260109 | 100mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1256346-07-2
- Purity/Analytical Methods: >99.0%
1256346-07-2 / (3-cyclopentyloxy-5-methylphenyl)boronic acid
Basic Information
CAS
1256346-07-2
Multi CAS
No
Molecular Formula
C12H17BO3
Molecular Weight
220.070000
Exact Mass
220.127075
SMILES
B(C1=CC(=CC(=C1)OC2CCCC2)C)(O)O
InChI
InChI=1S/C12H17BO3/c1-9-6-10(13(14)15)8-12(7-9)16-11-4-2-3-5-11/h6-8,11,14-15H,2-5H2,1H3
InChIKey
RHOORGQKPJFPDI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
63.89
TPSA
49.69
LogP / Solubility
WLOGP
1
MLOGP
0.88
XLogP3
1
Consensus LogP
0.96
Log S (ESOL)
-1.91
Class (ESOL)
Soluble
Log S (Ali)
-2.08
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.28
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)
-3.36
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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