CAS RN: 816-90-0
FORMIMINO-L-GLUTAMIC ACID HEMIBARIUM
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.20250408 | 1mg / 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS816-90-0
- Purity/Analytical Methods: >99.0%
816-90-0 / 2-(aminomethylideneamino)pentanedioic acid
Basic Information
CAS
816-90-0
Multi CAS
Yes
Molecular Formula
C6H10N2O4
Molecular Weight
174.150000
Exact Mass
174.064057
InChI
InChI=1S/C6H10N2O4/c7-3-8-4(6(11)12)1-2-5(9)10/h3-4H,1-2H2,(H2,7,8)(H,9,10)(H,11,12)
InChIKey
NRXIKWMTVXPVEF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.5
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
3
Molar refractivity
40.97
TPSA
112.98
LogP / Solubility
WLOGP
-0.71
MLOGP
-0.63
XLogP3
-1.1
Consensus LogP
-0.81
Log S (ESOL)
-0.14
Class (ESOL)
Very soluble
Log S (Ali)
-0.48
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.8
Class (SILICOS-IT)
Very 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)
-4.29
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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- CAS RN: 817-91-4
- Product Code: starshine_CAS817-91-4
- Purity/Analytical method: >99.0%
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