CAS RN: 27019-24-5
(E)-4-nitrophenyl 3-(4-nitrophenyl)acrylate
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.20250317 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS27019-24-5
- Purity/Analytical Methods: >99.0%
27019-24-5 / (4-nitrophenyl) (E)-3-(4-nitrophenyl)prop-2-enoate
Basic Information
CAS
27019-24-5
Multi CAS
No
Molecular Formula
C15H10N2O6
Molecular Weight
314.250000
Exact Mass
314.053886
SMILES
C1=CC(=CC=C1/C=C/C(=O)OC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C15H10N2O6/c18-15(23-14-8-6-13(7-9-14)17(21)22)10-3-11-1-4-12(5-2-11)16(19)20/h1-10H/b10-3+
InChIKey
CANXXSOCHLOIOM-XCVCLJGOSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
12
Rotatable bonds
5
H-bond acceptors
6
Molar refractivity
80.86
TPSA
112.58
LogP / Solubility
WLOGP
3.12
MLOGP
2.76
XLogP3
3.4
Consensus LogP
3.09
Log S (ESOL)
-3.81
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.39
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.89
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.42
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
Customers Also Viewed
-
-
-
-
-
-
4-[[4-(1H-benzimidazol-2-yl)phenyl]amino]-4-keto-butyric acid
- CAS RN: 27031-00-1
- Product Code: SSC-125642
![CAS 27031-00-1 4-[[4-(1H-benzimidazol-2-yl)phenyl]amino]-4-keto-butyric acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/27031-00-1.gif)