CAS RN: 959658-43-6
2-(2-(benzylcarbaMoyl)-1-Methylhydrazinyl)acetic 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.20250112 | 250mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS959658-43-6
- Purity/Analytical Methods: >99.0%
959658-43-6 / 2-[(benzylcarbamoylamino)-methylamino]acetic acid
Basic Information
CAS
959658-43-6
Multi CAS
No
Molecular Formula
C11H15N3O3
Molecular Weight
237.250000
Exact Mass
237.111341
InChI
InChI=1S/C11H15N3O3/c1-14(8-10(15)16)13-11(17)12-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,15,16)(H2,12,13,17)
InChIKey
YEXITIIDOUXPOJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
3
Molar refractivity
62.08
TPSA
81.67
LogP / Solubility
WLOGP
0.42
MLOGP
0.37
XLogP3
-1.6
Consensus LogP
-0.27
Log S (ESOL)
-1.51
Class (ESOL)
Soluble
Log S (Ali)
-1.81
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.15
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)
-3.87
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
Customers Also Viewed
-
Acetato(2,9-dimethyl-1,10-phenanthroline)palladium(II) dimer bis(trifluoromethanesulfonate)
- CAS RN: 959698-19-2
- Product Code: starshine_CAS959698-19-2
- Purity/Analytical method: >99.0%
-
1,6-diMethyl-2,3-dihydroquinolin-4-one
- CAS RN: 959699-02-6
- Product Code: starshine_CAS959699-02-6
- Purity/Analytical method: >99.0%
-
Carbamic acid, N-1-oxaspiro[2.5]oct-6-yl-, 1,1-dimethylethyl ester
- CAS RN: 959704-59-7
- Product Code: SSC-211723
-
-
-
CyclopropanecarboxaMide, N-[3-(2-Methoxyethyl)-4,5-diMethyl-2(3H)-thiazolylidene]-2,2,3,3-tetraMethyl-, [N(Z)]-
- CAS RN: 959746-77-1
- Product Code: starshine_CAS959746-77-1
- Purity/Analytical method: >99.0%
![CAS 959704-59-7 Carbamic acid, N-1-oxaspiro[2.5]oct-6-yl-, 1,1-dimethylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/959704-59-7.gif)
![CAS 959746-77-1 CyclopropanecarboxaMide, N-[3-(2-Methoxyethyl)-4,5-diMethyl-2(3H)-thiazolylidene]-2,2,3,3-tetraMethyl-, [N(Z)]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/959746-77-1.gif)