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CAS 1402166-55-5 2-(5-cyclohexylthiophen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane molecular structure lightbox
CAS RN: 1402166-55-5

2-(5-cyclohexylthiophen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260101 25mg / 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1402166-55-5
  • Purity/Analytical Methods: >99.0%
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1402166-55-5 / 2-(5-cyclohexylthiophen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Standard CAS: 1402166-55-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1402166-55-5
Multi CAS
No
Molecular Formula
C16H25BO2S
Molecular Weight
292.200000
Exact Mass
292.166831
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(S2)C3CCCCC3
InChI
InChI=1S/C16H25BO2S/c1-15(2)16(3,4)19-17(18-15)14-11-10-13(20-14)12-8-6-5-7-9-12/h10-12H,5-9H2,1-4H3
InChIKey
KZUDMCZGSPADNP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
5
Fraction Csp3
0.75
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
85.86
TPSA
18.46

LogP / Solubility

WLOGP
4.1
MLOGP
3.61
XLogP3
4.1
Consensus LogP
3.94
Log S (ESOL)
-4.28
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.91
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.2
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)
-1.6

Drug-likeness / Medicinal Chemistry

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

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