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CAS 448211-45-8 1,3,2-Dioxaborolane, 2-(1-cycloocten-1-yl)-4,4,5,5-tetraMethyl- molecular structure lightbox
CAS RN: 448211-45-8

1,3,2-Dioxaborolane, 2-(1-cycloocten-1-yl)-4,4,5,5-tetraMethyl-

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251008 25mg / 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS448211-45-8
  • Purity/Analytical Methods: >99.0%
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448211-45-8 / 2-[(1Z)-cycloocten-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Standard CAS: 448211-45-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
448211-45-8
Multi CAS
Yes
Molecular Formula
BC14H25O2
Molecular Weight
236.160000
Exact Mass
236.194760
InChI
InChI=1S/C14H25BO2/c1-13(2)14(3,4)17-15(16-13)12-10-8-6-5-7-9-11-12/h10H,5-9,11H2,1-4H3/b12-10+
InChIKey
BIQJRRXWPUZKCQ-ZRDIBKRKSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
71.87
TPSA
18.46

LogP / Solubility

WLOGP
3.9
MLOGP
3.43
XLogP3
3.9
Consensus LogP
3.74
Log S (ESOL)
-3.69
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.31
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.55
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.39

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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