CAS RN: 27430-18-8
5-FURFURYLIDENE-2-THIOBARBITURIC ACID
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.20250922 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS27430-18-8
- Purity/Analytical Methods: >99.0%
27430-18-8 / 5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione
Basic Information
CAS
27430-18-8
Multi CAS
No
Molecular Formula
C9H6N2O3S
Molecular Weight
222.220000
Exact Mass
222.009913
InChI
InChI=1S/C9H6N2O3S/c12-7-6(4-5-2-1-3-14-5)8(13)11-9(15)10-7/h1-4H,(H2,10,11,12,13,15)
InChIKey
VQRARDATQWRHGF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
5
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
55.57
TPSA
71.34
LogP / Solubility
WLOGP
0.19
MLOGP
0.17
XLogP3
0.7
Consensus LogP
0.35
Log S (ESOL)
-1.52
Class (ESOL)
Soluble
Log S (Ali)
-1.52
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.39
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.94
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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