![CAS 137297-51-9 1,3,2-Dioxaborolane, 4,4,5,5-tetramethyl-2-[2-(phenylmethoxy)ethyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/137297-51-9.gif)
CAS RN: 137297-51-9
1,3,2-Dioxaborolane, 4,4,5,5-tetramethyl-2-[2-(phenylmethoxy)ethyl]-
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251110 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS137297-51-9
- Purity/Analytical Methods: >99.0%
137297-51-9 / 4,4,5,5-tetramethyl-2-(2-phenylmethoxyethyl)-1,3,2-dioxaborolane
Basic Information
CAS
137297-51-9
Multi CAS
No
Molecular Formula
C15H23BO3
Molecular Weight
262.150000
Exact Mass
262.174025
SMILES
B1(OC(C(O1)(C)C)(C)C)CCOCC2=CC=CC=C2
InChI
InChI=1S/C15H23BO3/c1-14(2)15(3,4)19-16(18-14)10-11-17-12-13-8-6-5-7-9-13/h5-9H,10-12H2,1-4H3
InChIKey
OYZPNTSHCBHHOP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
76.99
TPSA
27.69
LogP / Solubility
WLOGP
3.3
MLOGP
2.91
XLogP3
3.3
Consensus LogP
3.17
Log S (ESOL)
-3.45
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.09
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.7
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)
-1.98
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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