CAS RN: 635318-11-5
LY-404039
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250615 | 5mg | In stock | Shandong | Inquiry |
- Product code: starshine_CAS635318-11-5
- Purity/Analytical Methods: >99.0%
635318-11-5 / (1R,4S,5S,6S)-4-amino-2,2-dioxo-2lambda6-thiabicyclo[3.1.0]hexane-4,6-dicarboxylic acid
Basic Information
CAS
635318-11-5
Multi CAS
Yes
Molecular Formula
C7H9NO6S
Molecular Weight
235.220000
Exact Mass
235.015058
InChI
InChI=1S/C7H9NO6S/c8-7(6(11)12)1-15(13,14)4-2(3(4)7)5(9)10/h2-4H,1,8H2,(H,9,10)(H,11,12)/t2-,3-,4+,7+/m1/s1
InChIKey
AVDUGNCTZRCAHH-MDASVERJSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.71
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
3
Molar refractivity
46.74
TPSA
134.76
LogP / Solubility
WLOGP
-2.1
MLOGP
-1.85
XLogP3
-4.8
Consensus LogP
-2.92
Log S (ESOL)
0.16
Class (ESOL)
Highly soluble
Log S (Ali)
0.03
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.32
Class (SILICOS-IT)
Highly 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
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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