CAS RN: 4031-84-9
5-Amino-2-(4-morpholinyl)benzoic acid methyl ester
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.20250708 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS4031-84-9
- Purity/Analytical Methods: >99.0%
4031-84-9 / methyl 5-amino-2-morpholin-4-ylbenzoate
Basic Information
CAS
4031-84-9
Multi CAS
No
Molecular Formula
C12H16N2O3
Molecular Weight
236.270000
Exact Mass
236.116092
InChI
InChI=1S/C12H16N2O3/c1-16-12(15)10-8-9(13)2-3-11(10)14-4-6-17-7-5-14/h2-3,8H,4-7,13H2,1H3
InChIKey
UDCGGVAQNYMTAZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
65.23
TPSA
64.79
LogP / Solubility
WLOGP
0.89
MLOGP
0.79
XLogP3
0.8
Consensus LogP
0.83
Log S (ESOL)
-2
Class (ESOL)
Soluble
Log S (Ali)
-2.14
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.18
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)
-3.53
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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