CAS RN: 558-86-1
1-BROMO-1,1,2,2,3,3,4,4-OCTAFLUOROBUTANE
Product Availability
Choose a grade to view its available package options.
2 package records0 with current stock1 grade group
- Product code: starshine_CAS558-86-1
- Purity/Analytical Methods: >99.0%
558-86-1 / 1-bromo-1,1,2,2,3,3,4,4-octafluorobutane
Basic Information
CAS
558-86-1
Multi CAS
No
Molecular Formula
BC4HRf8
Molecular Weight
280.940000
Exact Mass
279.913390
InChI
InChI=1S/C4HBrF8/c5-4(12,13)3(10,11)2(8,9)1(6)7/h1H
InChIKey
VPZIQULETJOWKK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
8
Molar refractivity
29.77
TPSA
0.0000
LogP / Solubility
WLOGP
3.51
MLOGP
3.1
XLogP3
3.9
Consensus LogP
3.5
Log S (ESOL)
-3.6
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.76
Class (SILICOS-IT)
Slightly 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)
-1.94
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
3BETA-6BETA-DIHYDROXY OLEAN-12-EN-28-OIC ACID
- CAS RN: 559-64-8
- Product Code: starshine_CAS559-64-8
- Purity/Analytical method: >99.0%
-
beta-Amyrin
- CAS RN: 559-70-6
- Product Code: starshine_CAS559-70-6
- Purity/Analytical method: >99.0%
-
FRIEDELIN
- CAS RN: 559-74-0
- Product Code: starshine_CAS559-74-0
- Purity/Analytical method: >99.0%
-
4,4,5,5,6,6,6-HEPTAFLUORO-1-(2-THIENYL)-1,3-HEXANEDIONE
- CAS RN: 559-94-4
- Product Code: SSC-163851
-
-
