CAS RN: 937591-99-6
2-(CHROMAN-8-YL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251219 | 50mg / 100mg / 250mg / 1g | Out of stock | 3-5 business days | Inquiry |
- Product code: starshine_CAS937591-99-6
- Purity/Analytical Methods: >99.0%
937591-99-6 / 2-(3,4-dihydro-2H-chromen-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Basic Information
CAS
937591-99-6
Multi CAS
No
Molecular Formula
BC15H21O3
Molecular Weight
260.140000
Exact Mass
260.158375
InChI
InChI=1S/C15H21BO3/c1-14(2)15(3,4)19-16(18-14)12-9-5-7-11-8-6-10-17-13(11)12/h5,7,9H,6,8,10H2,1-4H3
InChIKey
KPZLZRFLKYIMPY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
75.97
TPSA
27.69
LogP / Solubility
WLOGP
2.31
MLOGP
2.04
XLogP3
2.31
Consensus LogP
2.22
Log S (ESOL)
-3.08
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.36
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.39
Class (SILICOS-IT)
Poorly 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)
-2.67
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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