![CAS 2569674-64-0 1,4-Benzenedicarboxylic acid, 2,5-bis[(3,3,4,4,5,5,6,6,6-nonafluorohexyl)oxy]-, 1,4-dihydrazide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2569674-64-0.gif)
CAS RN: 2569674-64-0
1,4-Benzenedicarboxylic acid, 2,5-bis[(3,3,4,4,5,5,6,6,6-nonafluorohexyl)oxy]-, 1,4-dihydrazide
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: starshine_CAS2569674-64-0
- Purity/Analytical Methods: >99.0%
2569674-64-0 / 2,5-bis(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)benzene-1,4-dicarbohydrazide
Basic Information
CAS
2569674-64-0
Multi CAS
No
Molecular Formula
C20H16F18N4O4
Molecular Weight
718.300000
Exact Mass
718.088412
InChI
InChI=1S/C20H16F18N4O4/c21-13(22,15(25,26)17(29,30)19(33,34)35)1-3-45-9-5-8(12(44)42-40)10(6-7(9)11(43)41-39)46-4-2-14(23,24)16(27,28)18(31,32)20(36,37)38/h5-6H,1-4,39-40H2,(H,41,43)(H,42,44)
InChIKey
AGXZTUYXGZJVOI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
46
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
14
H-bond acceptors
6
H-bond donors
4
Molar refractivity
111.77
TPSA
128.7
LogP / Solubility
WLOGP
5.37
MLOGP
4.79
XLogP3
5.9
Consensus LogP
5.35
Log S (ESOL)
-6.85
Class (ESOL)
Insoluble
Log S (Ali)
-9.33
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.46
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.29
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
Customers Also Viewed
-
(R)-1-(3-(difluoromethyl)-2-fluorophenyl)ethan-1-amine hydrochloride
- CAS RN: 2569698-42-4
- Product Code: SSC-122135
-
Heptanoic acid, 7-chloro-2,2-dimethyl-, ethyl ester
- CAS RN: 2570179-39-2
- Product Code: starshine_CAS2570179-39-2
- Purity/Analytical method: >99.0%
-
Heneicosanedioic acid, 8,14-dihydroxy-2,2,20,20-tetramethyl-
- CAS RN: 2570179-40-5
- Product Code: SSC-122150
-
Benzyl N-(5-bromo-1-benzothiophen-2-yl)carbamate
- CAS RN: 2570190-21-3
- Product Code: SSC-122151
-
Carbamic acid, N-(6-bromobenzo[b]thien-2-yl)-, phenylmethyl ester
- CAS RN: 2570190-27-9
- Product Code: SSC-122152
-
![CAS 2570190-27-9 Carbamic acid, N-(6-bromobenzo[b]thien-2-yl)-, phenylmethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2570190-27-9.gif)
