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CAS 2720-03-8 CHLOROBIS(PENTAFLUOROPHENYL)BORANE molecular structure lightbox
CAS RN: 2720-03-8

CHLOROBIS(PENTAFLUOROPHENYL)BORANE

  • Product code: SSC-126099
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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 2720-03-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

2720-03-8 / chloro-bis(2,3,4,5,6-pentafluorophenyl)borane

Standard CAS: 2720-03-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2720-03-8
Multi CAS
No
Molecular Formula
C12BClF10
Molecular Weight
380.380000
Exact Mass
379.962190
SMILES
B(C1=C(C(=C(C(=C1F)F)F)F)F)(C2=C(C(=C(C(=C2F)F)F)F)F)Cl
InChI
InChI=1S/C12BClF10/c14-13(1-3(15)7(19)11(23)8(20)4(1)16)2-5(17)9(21)12(24)10(22)6(2)18
InChIKey
NPCGBGCBMXKWIH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
10
Molar refractivity
63.34
TPSA
0.0000

LogP / Solubility

WLOGP
3.42
MLOGP
3.03
XLogP3
3.42
Consensus LogP
3.29
Log S (ESOL)
-4.59
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.15
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.21
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
Yes
Log Kp (skin permeation)
-2.61

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
2.5

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