CAS RN: 769856-81-7
TPT-260
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.20250727 | 5mg / 10mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS769856-81-7
- Purity/Analytical Methods: >99.0%
769856-81-7 / [5-(carbamimidoylsulfanylmethyl)thiophen-2-yl]methyl carbamimidothioate
Basic Information
CAS
769856-81-7
Multi CAS
No
Molecular Formula
C8H12N4S3
Molecular Weight
260.400000
Exact Mass
260.022410
SMILES
C1=C(SC(=C1)CSC(=N)N)CSC(=N)N
InChI
InChI=1S/C8H12N4S3/c9-7(10)13-3-5-1-2-6(15-5)4-14-8(11)12/h1-2H,3-4H2,(H3,9,10)(H3,11,12)
InChIKey
XGDUNTSTRCLVLN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
5
Fraction Csp3
0.25
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
4
Molar refractivity
70.74
TPSA
99.74
LogP / Solubility
WLOGP
2
MLOGP
1.77
XLogP3
1.2
Consensus LogP
1.66
Log S (ESOL)
-2.7
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.14
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.49
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.89
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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