[email protected]
CAS 1038-65-9 4-Bromo-2,2′,3,3′,4′,5,5′,6,6′-nonafluoro-1,1′-biphenyl molecular structure lightbox
CAS RN: 1038-65-9

4-Bromo-2,2′,3,3′,4′,5,5′,6,6′-nonafluoro-1,1′-biphenyl

  • Product code: SSC-005410
GET A QUOTE
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
Request Bulk Quote

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 1038-65-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1038-65-9 / 1-bromo-2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)benzene

1-bromo-2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)benzene | DTXSID30401546 | RefChem:228281

Standard CAS: 1038-65-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1038-65-9
Multi CAS
No
Molecular Formula
C12BrF9
Molecular Weight
395.020000
Exact Mass
393.903970
SMILES
C1(=C(C(=C(C(=C1F)F)F)F)F)C2=C(C(=C(C(=C2F)F)Br)F)F
InChI
InChI=1S/C12BrF9/c13-3-8(18)4(14)1(5(15)9(3)19)2-6(16)10(20)12(22)11(21)7(2)17
InChIKey
LIEUYSNHMAGQQH-UHFFFAOYSA-N
Synonyms
1-bromo-2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)benzene DTXSID30401546 RefChem:228281 DTXCID10352401 1,1'-Biphenyl, 4-bromo-2,2',3,3',4',5,5',6,6'-nonafluoro-

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
9
Molar refractivity
59.2
TPSA
0.0000

LogP / Solubility

WLOGP
5.37
MLOGP
4.75
XLogP3
5.1
Consensus LogP
5.07
Log S (ESOL)
-6.01
Class (ESOL)
Insoluble
Log S (Ali)
-6.67
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.8
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.32

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Customers Also Viewed

Get In Touch

Contact Us