CAS RN: 88947-28-8
1,2,5-Thiadiazole-3-carboxamide,4-amino-(7CI)
Product Availability
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3 package records0 with current stock1 grade group
- Product code: starshine_CAS88947-28-8
- Purity/Analytical Methods: >99.0%
88947-28-8 / 4-amino-1,2,5-thiadiazole-3-carboxamide
Basic Information
CAS
88947-28-8
Multi CAS
No
Molecular Formula
C3H4N4OS
Molecular Weight
144.160000
Exact Mass
144.010582
InChI
InChI=1S/C3H4N4OS/c4-2-1(3(5)8)6-9-7-2/h(H2,4,7)(H2,5,8)
InChIKey
XWHJUQGCJOPMRW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
5
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
2
Molar refractivity
32.84
TPSA
94.89
LogP / Solubility
WLOGP
-0.78
MLOGP
-0.69
XLogP3
-0.2
Consensus LogP
-0.56
Log S (ESOL)
-0.59
Class (ESOL)
Very soluble
Log S (Ali)
-0.18
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.07
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)
-4.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 88949-34-2 3,6-di(furan-2-yl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/88949-34-2.gif)
