CAS RN: 23315-18-6
SulbactaM M-1
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.20250509 | 25mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS23315-18-6
- Purity/Analytical Methods: >99.0%
23315-18-6 / (2S)-2-amino-3-methyl-3-sulfinobutanoic acid
Basic Information
CAS
23315-18-6
Multi CAS
No
Molecular Formula
C5H11NO4S
Molecular Weight
181.210000
Exact Mass
181.040879
SMILES
CC(C)([C@H](C(=O)O)N)S(=O)O
InChI
InChI=1S/C5H11NO4S/c1-5(2,11(9)10)3(6)4(7)8/h3H,6H2,1-2H3,(H,7,8)(H,9,10)/t3-/m0/s1
InChIKey
SVIZNTHNFAOGAB-VKHMYHEASA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.8
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
40.46
TPSA
100.62
LogP / Solubility
WLOGP
-0.6
MLOGP
-0.53
XLogP3
-3.6
Consensus LogP
-1.58
Log S (ESOL)
-0.39
Class (ESOL)
Very soluble
Log S (Ali)
-0.61
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.7
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)
-4.25
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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