![CAS 63016-87-5 METHYL 2-{[(2E)-2-(HYDROXYIMINO)ETHANOYL]AMINO}BENZOATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/63016-87-5.gif)
CAS RN: 63016-87-5
METHYL 2-{[(2E)-2-(HYDROXYIMINO)ETHANOYL]AMINO}BENZOATE
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.20250410 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS63016-87-5
- Purity/Analytical Methods: >99.0%
63016-87-5 / methyl 2-[[(2Z)-2-hydroxyiminoacetyl]amino]benzoate
Basic Information
CAS
63016-87-5
Multi CAS
Yes
Molecular Formula
C10H10N2O4
Molecular Weight
222.200000
Exact Mass
222.064057
InChI
InChI=1S/C10H10N2O4/c1-16-10(14)7-4-2-3-5-8(7)12-9(13)6-11-15/h2-6,15H,1H3,(H,12,13)/b11-6+
InChIKey
QAVYRCRPJGELDP-IZZDOVSWSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.1
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
56.69
TPSA
87.99
LogP / Solubility
WLOGP
0.87
MLOGP
0.77
XLogP3
2.4
Consensus LogP
1.35
Log S (ESOL)
-1.85
Class (ESOL)
Soluble
Log S (Ali)
-2.01
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.19
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.46
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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