CAS RN: 147222-99-9
(4-(Decyloxy)phenyl)boronic 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.20251003 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS147222-99-9
- Purity/Analytical Methods: >99.0%
147222-99-9 / (4-decoxyphenyl)boronic acid
Basic Information
CAS
147222-99-9
Multi CAS
No
Molecular Formula
C16H27BO3
Molecular Weight
278.200000
Exact Mass
278.205325
SMILES
B(C1=CC=C(C=C1)OCCCCCCCCCC)(O)O
InChI
InChI=1S/C16H27BO3/c1-2-3-4-5-6-7-8-9-14-20-16-12-10-15(11-13-16)17(18)19/h10-13,18-19H,2-9,14H2,1H3
InChIKey
XXFRWPZGPNSDJA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.62
Rotatable bonds
11
H-bond acceptors
3
H-bond donors
2
Molar refractivity
84.37
TPSA
49.69
LogP / Solubility
WLOGP
2.89
MLOGP
2.55
XLogP3
2.89
Consensus LogP
2.78
Log S (ESOL)
-2.88
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.92
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-5.18
Class (SILICOS-IT)
Slightly 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)
-2.37
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
-
BENZYLDIMETHYLTETRADECYLAMMONIUM CHLORI&
- CAS RN: 147228-81-7
- Product Code: starshine_CAS147228-81-7
- Purity/Analytical method: >99.0%
-
Bletilol B
- CAS RN: 147235-17-4
- Product Code: starshine_CAS147235-17-4
- Purity/Analytical method: >99.0%
-
Glatiramer acetate
- CAS RN: 147245-92-9
- Product Code: starshine_CAS147245-92-9
- Purity/Analytical method: >99.0%
