![CAS 66104-81-2 N-[4-(Methylamino)benzoyl]-L-glutamic acid zinc salt molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/66104-81-2.gif)
CAS RN: 66104-81-2
N-[4-(Methylamino)benzoyl]-L-glutamic acid zinc salt
Product Availability
Choose a grade to view its available package options.
7 package records6 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260511 | 25g / 100g / 500g | Confirm by inquiry | Shanghai | 8-10 business days | Inquiry |
- Product code: starshine_CAS66104-81-2
- Purity/Analytical Methods: >99.0%
66104-81-2 / zinc 2-[[4-(methylamino)benzoyl]amino]pentanedioate
Basic Information
CAS
66104-81-2
Multi CAS
Yes
Molecular Formula
C13H14N2O5Zn
Molecular Weight
343.600000
Exact Mass
342.019413
InChI
InChI=1S/C13H16N2O5.Zn/c1-14-9-4-2-8(3-5-9)12(18)15-10(13(19)20)6-7-11(16)17;/h2-5,10,14H,6-7H2,1H3,(H,15,18)(H,16,17)(H,19,20);/q;+2/p-2/t10-;/m0./s1
InChIKey
HKSAKGRLQPUPIZ-PPHPATTJSA-L
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.31
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
2
Molar refractivity
66.49
TPSA
121.39
LogP / Solubility
WLOGP
-1.9
MLOGP
-1.65
XLogP3
-1.9
Consensus LogP
-1.82
Log S (ESOL)
-0.53
Class (ESOL)
Very soluble
Log S (Ali)
-1.01
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.16
Class (SILICOS-IT)
Soluble
ADME
GI absorption
Low
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)
-6.16
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
3
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