CAS RN: 58110-34-2
3-(5-(4-nitrophenyl)furan-2-yl)acrylic acid
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.20250507 | 1g | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS58110-34-2
- Purity/Analytical Methods: >99.0%
58110-34-2 / 3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enoic acid
Basic Information
CAS
58110-34-2
Multi CAS
Yes
Molecular Formula
C13H9NO5
Molecular Weight
259.210000
Exact Mass
259.048072
InChI
InChI=1S/C13H9NO5/c15-13(16)8-6-11-5-7-12(19-11)9-1-3-10(4-2-9)14(17)18/h1-8H,(H,15,16)/b8-6+
InChIKey
OGFLVOQOCHNPDE-SOFGYWHQSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
11
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
67.47
TPSA
93.58
LogP / Solubility
WLOGP
2.95
MLOGP
2.61
XLogP3
2.5
Consensus LogP
2.69
Log S (ESOL)
-3.47
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.82
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.28
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)
-2.2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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