CAS RN: 90237-02-8
GAMS
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.20260117 | 25mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS90237-02-8
- Purity/Analytical Methods: >99.0%
90237-02-8 / (2R)-2-amino-5-oxo-5-(sulfomethylamino)pentanoic acid
Basic Information
CAS
90237-02-8
Multi CAS
Yes
Molecular Formula
C6H12N2O6S
Molecular Weight
240.240000
Exact Mass
240.041607
InChI
InChI=1S/C6H12N2O6S/c7-4(6(10)11)1-2-5(9)8-3-15(12,13)14/h4H,1-3,7H2,(H,8,9)(H,10,11)(H,12,13,14)/t4-/m1/s1
InChIKey
HCMBCMVOCRJSME-SCSAIBSYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.67
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
4
Molar refractivity
49.4
TPSA
146.79
LogP / Solubility
WLOGP
-1.86
MLOGP
-1.63
XLogP3
-4.8
Consensus LogP
-2.76
Log S (ESOL)
0.24
Class (ESOL)
Highly soluble
Log S (Ali)
-0.19
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.4
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)
-5.51
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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