CAS RN: 495-27-2
OPHTHALMIC ACID
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251024 | 10mg | In stock | Shanghai, Hebei | Inquiry |
- Product code: starshine_CAS495-27-2
- Purity/Analytical Methods: >99.0%
495-27-2 / (2S)-2-amino-5-[[(2S)-2-aminobutanoyl]-(carboxymethyl)amino]-5-oxopentanoic acid
Basic Information
CAS
495-27-2
Multi CAS
Yes
Molecular Formula
C11H19N3O6
Molecular Weight
289.290000
Exact Mass
289.127385
InChI
InChI=1S/C11H19N3O6/c1-2-6(12)10(18)14(5-9(16)17)8(15)4-3-7(13)11(19)20/h6-7H,2-5,12-13H2,1H3,(H,16,17)(H,19,20)/t6-,7-/m0/s1
InChIKey
SPLUHYDIQKURQW-BQBZGAKWSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Fraction Csp3
0.64
Rotatable bonds
8
H-bond acceptors
6
H-bond donors
4
Molar refractivity
67.47
TPSA
164.02
LogP / Solubility
WLOGP
-1.64
MLOGP
-1.44
XLogP3
-6.5
Consensus LogP
-3.19
Log S (ESOL)
-0.07
Class (ESOL)
Very soluble
Log S (Ali)
-0.74
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.14
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)
-5.65
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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