![CAS 4379-85-5 hexafluoroantimonate(1-), salt with N,N,N’,N’-tetrakis[4-(dibutylamino)phenyl]benzene-1,4-diamine (1:1) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/4379-85-5.gif)
CAS RN: 4379-85-5
hexafluoroantimonate(1-), salt with N,N,N’,N’-tetrakis[4-(dibutylamino)phenyl]benzene-1,4-diamine (1:1)
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260122 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS4379-85-5
- Purity/Analytical Methods: >99.0%
4379-85-5 / antimony(5+);1-N,1-N-dibutyl-4-N-[4-[4-(dibutylamino)-N-[4-(dibutylamino)phenyl]anilino]phenyl]-4-N-[4-(dibutylamino)phenyl]benzene-1,4-diamine;hexachloride
Basic Information
CAS
4379-85-5
Multi CAS
Yes
Molecular Formula
C62H92CL6N6SB
Molecular Weight
1255.900000
Exact Mass
1253.452320
InChI
InChI=1S/C62H92N6.6ClH.Sb/c1-9-17-45-63(46-18-10-2)53-25-33-57(34-26-53)67(58-35-27-54(28-36-58)64(47-19-11-3)48-20-12-4)61-41-43-62(44-42-61)68(59-37-29-55(30-38-59)65(49-21-13-5)50-22-14-6)60-39-31-56(32-40-60)66(51-23-15-7)52-24-16-8;;;;;;;/h25-44H,9-24,45-52H2,1-8H3;6*1H;/q;;;;;;;+5/p-6
InChIKey
JOORRPHPKFHFFD-UHFFFAOYSA-H
Computed Properties
Structural Parameters
Heavy atom count
75
Aromatic heavy atom count
30
Fraction Csp3
0.52
Rotatable bonds
34
H-bond acceptors
6
Molar refractivity
309.68
TPSA
19.44
LogP / Solubility
WLOGP
-0.1
MLOGP
0.04
XLogP3
-0.1
Consensus LogP
-0.05
Log S (ESOL)
-5.61
Class (ESOL)
Slightly soluble
Log S (Ali)
-9.78
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.82
Class (SILICOS-IT)
Insoluble
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)
-10.46
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
Customers Also Viewed
-
Hexanoic acid, 3-methylene-
- CAS RN: 4380-89-6
- Product Code: starshine_CAS4380-89-6
- Purity/Analytical method: >99.0%
-
2,2′-BITHIOPHENE-5-METHYLAMINE
- CAS RN: 4380-96-5
- Product Code: starshine_CAS4380-96-5
- Purity/Analytical method: >99.0%
-
-
3,3′-di-O-methylquercetin
- CAS RN: 4382-17-6
- Product Code: starshine_CAS4382-17-6
- Purity/Analytical method: >99.0%
-
2,3-DIHYDROROBINETIN
- CAS RN: 4382-33-6
- Product Code: starshine_CAS4382-33-6
- Purity/Analytical method: >99.0%
-
