CAS RN: 126575-05-1
3-(Formylamino)-3-phenylpropanoic 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.20250611 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS126575-05-1
- Purity/Analytical Methods: >99.0%
126575-05-1 / 3-formamido-3-phenylpropanoic acid
Basic Information
CAS
126575-05-1
Multi CAS
No
Molecular Formula
C10H11NO3
Molecular Weight
193.200000
Exact Mass
193.073893
SMILES
C1=CC=C(C=C1)C(CC(=O)O)NC=O
InChI
InChI=1S/C10H11NO3/c12-7-11-9(6-10(13)14)8-4-2-1-3-5-8/h1-5,7,9H,6H2,(H,11,12)(H,13,14)
InChIKey
FHCPDHZTKQFWKO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
2
Molar refractivity
50.64
TPSA
66.4
LogP / Solubility
WLOGP
0.95
MLOGP
0.83
XLogP3
0.6
Consensus LogP
0.79
Log S (ESOL)
-1.62
Class (ESOL)
Soluble
Log S (Ali)
-1.83
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.3
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.23
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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