CAS RN: 518357-51-2
3-MATIDA
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251104 | 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS518357-51-2
- Purity/Analytical Methods: >99.0%
518357-51-2 / 5-[amino(carboxy)methyl]-4-methylthiophene-2-carboxylic acid
Basic Information
CAS
518357-51-2
Multi CAS
Yes
Molecular Formula
C8H9NO4S
Molecular Weight
215.230000
Exact Mass
215.025229
InChI
InChI=1S/C8H9NO4S/c1-3-2-4(7(10)11)14-6(3)5(9)8(12)13/h2,5H,9H2,1H3,(H,10,11)(H,12,13)
InChIKey
KOMWRBFEDDEWEP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
5
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
3
Molar refractivity
50.58
TPSA
100.62
LogP / Solubility
WLOGP
0.84
MLOGP
0.74
XLogP3
-1.8
Consensus LogP
-0.07
Log S (ESOL)
-1.77
Class (ESOL)
Soluble
Log S (Ali)
-1.93
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.12
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)
-3.44
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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- Purity/Analytical method: >99.0%
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