CAS RN: 868755-79-7

2-[4-(2-FURYL)PHENYL]-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251019 100mg In stock Shanghai Inquiry
Batchno.20260501 1g In stock Shanghai, Shenzhen, Wuhan Inquiry
Batchno.20260620 250mg Out of stock 8-10 business days Inquiry
Batchno.20250909 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20250706 5g In stock Shenzhen Inquiry
  • Product code: starshine_CAS868755-79-7
  • Purity/Analytical Methods: >99.0%
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868755-79-7 / 2-[4-(furan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Standard CAS: 868755-79-7 Multi CAS: No

Basic Information

CAS
868755-79-7
Multi CAS
No
Molecular Formula
BC16H19O3
Molecular Weight
270.100000
Exact Mass
270.142725
InChI
InChI=1S/C16H19BO3/c1-15(2)16(3,4)20-17(19-15)13-9-7-12(8-10-13)14-6-5-11-18-14/h5-11H,1-4H3
InChIKey
PUCSCLCOEROOCP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
11
Fraction Csp3
0.38
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
79.86
TPSA
31.6

LogP / Solubility

WLOGP
3.25
MLOGP
2.86
XLogP3
3.25
Consensus LogP
3.12
Log S (ESOL)
-3.83
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.12
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.35
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.06

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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