![CAS 57727-23-8 [(2-METHOXYPHENYL)CARBAMOYL]FORMIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB93961721.gif)
CAS RN: 57727-23-8
[(2-METHOXYPHENYL)CARBAMOYL]FORMIC 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.20260105 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS57727-23-8
- Purity/Analytical Methods: >99.0%
57727-23-8 / 2-(2-methoxyanilino)-2-oxoacetic acid
Basic Information
CAS
57727-23-8
Multi CAS
No
Molecular Formula
C9H9NO4
Molecular Weight
195.170000
Exact Mass
195.053158
InChI
InChI=1S/C9H9NO4/c1-14-7-5-3-2-4-6(7)10-8(11)9(12)13/h2-5H,1H3,(H,10,11)(H,12,13)
InChIKey
SZELSBIQGGTLAH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
49.26
TPSA
75.63
LogP / Solubility
WLOGP
0.72
MLOGP
0.63
XLogP3
1
Consensus LogP
0.78
Log S (ESOL)
-1.69
Class (ESOL)
Soluble
Log S (Ali)
-1.68
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.76
Class (SILICOS-IT)
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)
-3.4
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
1.5
