![CAS 2573217-06-6 [1,1′-Biphenyl]-4,4′-diamine, 3,3′-bis(2-propen-1-yloxy)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2573217-06-6.gif)
CAS RN: 2573217-06-6
[1,1′-Biphenyl]-4,4′-diamine, 3,3′-bis(2-propen-1-yloxy)-
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.20260323 | 1g / 10g / 100g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2573217-06-6
- Purity/Analytical Methods: >99.0%
2573217-06-6 / 4-(4-amino-3-prop-2-enoxyphenyl)-2-prop-2-enoxyaniline
Basic Information
CAS
2573217-06-6
Multi CAS
No
Molecular Formula
C18H20N2O2
Molecular Weight
296.400000
Exact Mass
296.152478
SMILES
C=CCOC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)OCC=C)N
InChI
InChI=1S/C18H20N2O2/c1-3-9-21-17-11-13(5-7-15(17)19)14-6-8-16(20)18(12-14)22-10-4-2/h3-8,11-12H,1-2,9-10,19-20H2
InChIKey
QELSBXFOJQQGDR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.11
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
2
Molar refractivity
92.09
TPSA
70.5
LogP / Solubility
WLOGP
3.65
MLOGP
3.22
XLogP3
3.4
Consensus LogP
3.42
Log S (ESOL)
-3.92
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.62
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.45
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.94
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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