CAS RN: 7801-91-4
Z-GLY-SAR-OH
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.20250414 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS7801-91-4
- Purity/Analytical Methods: >99.0%
7801-91-4 / 2-[methyl-[2-(phenylmethoxycarbonylamino)acetyl]amino]acetic acid
Basic Information
CAS
7801-91-4
Multi CAS
Yes
Molecular Formula
C13H16N2O5
Molecular Weight
280.280000
Exact Mass
280.105922
InChI
InChI=1S/C13H16N2O5/c1-15(8-12(17)18)11(16)7-14-13(19)20-9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,14,19)(H,17,18)
InChIKey
DNSQLCGFBZSRPW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.31
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
2
Molar refractivity
69.9
TPSA
95.94
LogP / Solubility
WLOGP
0.46
MLOGP
0.41
XLogP3
0.6
Consensus LogP
0.49
Log S (ESOL)
-1.69
Class (ESOL)
Soluble
Log S (Ali)
-2.19
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.58
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)
-4.11
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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