CAS RN: 1256360-30-1
2-Methyl-1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)propan-1-ol
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260104 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1256360-30-1
- Purity/Analytical Methods: >99.0%
1256360-30-1 / 2-methyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-1-ol
Basic Information
CAS
1256360-30-1
Multi CAS
No
Molecular Formula
C16H25BO3
Molecular Weight
276.200000
Exact Mass
276.189675
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C(C(C)C)O
InChI
InChI=1S/C16H25BO3/c1-11(2)14(18)12-7-9-13(10-8-12)17-19-15(3,4)16(5,6)20-17/h7-11,14,18H,1-6H3
InChIKey
XEDOTLRWWKUYQW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.62
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
81.96
TPSA
38.69
LogP / Solubility
WLOGP
2.68
MLOGP
2.36
XLogP3
2.68
Consensus LogP
2.57
Log S (ESOL)
-3.26
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.76
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.04
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)
-2.51
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2
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