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CAS 355408-55-8 5,5-Dimethyl-2-(thiophen-2-yl)-1,3,2-dioxaborinane molecular structure lightbox
CAS RN: 355408-55-8

5,5-Dimethyl-2-(thiophen-2-yl)-1,3,2-dioxaborinane

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260227 1g In stock Shanghai Inquiry
Batchno.20250124 250mg In stock Shanghai Inquiry
Batchno.20260219 25g In stock Shanghai Inquiry
Batchno.20250513 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS355408-55-8
  • Purity/Analytical Methods: >99.0%
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355408-55-8 / 5,5-dimethyl-2-thiophen-2-yl-1,3,2-dioxaborinane

Standard CAS: 355408-55-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
355408-55-8
Multi CAS
Yes
Molecular Formula
BC9H13O2S
Molecular Weight
196.080000
Exact Mass
196.072931
InChI
InChI=1S/C9H13BO2S/c1-9(2)6-11-10(12-7-9)8-4-3-5-13-8/h3-5H,6-7H2,1-2H3
InChIKey
OQCFQKMFRXSPPP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.56
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
55.39
TPSA
18.46

LogP / Solubility

WLOGP
1.52
MLOGP
1.33
XLogP3
1.52
Consensus LogP
1.46
Log S (ESOL)
-2.23
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.26
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.31
Class (SILICOS-IT)
Moderately 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)
-2.84

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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