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CAS 2366993-30-6 5-Fluoro-3,3-bis(4-fluorophenyl)benzo[c][1,2]oxaborol-1(3H)-ol molecular structure lightbox
CAS RN: 2366993-30-6

5-Fluoro-3,3-bis(4-fluorophenyl)benzo[c][1,2]oxaborol-1(3H)-ol

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260417 10mg / 50mg Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-115151
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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: 0.1g
  • 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 2366993-30-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry

2366993-30-6 / 5-fluoro-3,3-bis(4-fluorophenyl)-1-hydroxy-2,1-benzoxaborole

Standard CAS: 2366993-30-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2366993-30-6
Multi CAS
No
Molecular Formula
C19H12BF3O2
Molecular Weight
340.100000
Exact Mass
340.088244
SMILES
B1(C2=C(C=C(C=C2)F)C(O1)(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)O
InChI
InChI=1S/C19H12BF3O2/c21-14-5-1-12(2-6-14)19(13-3-7-15(22)8-4-13)17-11-16(23)9-10-18(17)20(24)25-19/h1-11,24H
InChIKey
GYMSYJIUICZFDE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
18
Fraction Csp3
0.05
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
87.77
TPSA
29.46

LogP / Solubility

WLOGP
3.11
MLOGP
2.76
XLogP3
3.11
Consensus LogP
2.99
Log S (ESOL)
-4.31
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.6
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.69
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.58

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
3

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