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CAS 1436867-18-3 2-(4-(Ethylsulfonyl)Phenyl)-4,4,5,5-Tetramethyl-1,3,2-Dioxaborolane molecular structure lightbox
CAS RN: 1436867-18-3

2-(4-(Ethylsulfonyl)Phenyl)-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.PackageAvailabilityLead TimeInquiry
Batchno.20250302 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-055059
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1436867-18-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1436867-18-3 / 2-(4-ethylsulfonylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Standard CAS: 1436867-18-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1436867-18-3
Multi CAS
No
Molecular Formula
C14H21BO4S
Molecular Weight
296.200000
Exact Mass
296.125361
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)S(=O)(=O)CC
InChI
InChI=1S/C14H21BO4S/c1-6-20(16,17)12-9-7-11(8-10-12)15-18-13(2,3)14(4,5)19-15/h7-10H,6H2,1-5H3
InChIKey
QYCRDNHZAFCMDC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
79.88
TPSA
52.6

LogP / Solubility

WLOGP
1.78
MLOGP
1.58
XLogP3
1.78
Consensus LogP
1.71
Log S (ESOL)
-2.82
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.27
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.42
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)
-3.26

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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