CAS RN: 326914-22-1
3-(3-bromphenylcarbamoyi)-acrylicacid
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.20251110 | 500mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS326914-22-1
- Purity/Analytical Methods: >99.0%
326914-22-1 / 4-(3-bromoanilino)-4-oxobut-2-enoic acid
Basic Information
CAS
326914-22-1
Multi CAS
Yes
Molecular Formula
BC10H8O3Rn
Molecular Weight
270.080000
Exact Mass
268.968760
InChI
InChI=1S/C10H8BrNO3/c11-7-2-1-3-8(6-7)12-9(13)4-5-10(14)15/h1-6H,(H,12,13)(H,14,15)/b5-4+
InChIKey
ACABGZCLDYKQMC-SNAWJCMRSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
59.55
TPSA
66.4
LogP / Solubility
WLOGP
2.03
MLOGP
1.79
XLogP3
2.1
Consensus LogP
1.97
Log S (ESOL)
-2.89
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.24
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.46
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.93
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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