CAS RN: 1801143-25-8

4-Oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide

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Batchno.20251004 100mg In stock Shanghai Inquiry
Batchno.20250414 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
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  • Product code: starshine_CAS1801143-25-8
  • Purity/Analytical Methods: >99.0%
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1801143-25-8 / 4-oxo-3H-thieno[2,3-d]pyrimidine-5-carboxamide

Standard CAS: 1801143-25-8 Multi CAS: No

Basic Information

CAS
1801143-25-8
Multi CAS
No
Molecular Formula
C7H5N3O2S
Molecular Weight
195.200000
Exact Mass
195.010248
SMILES
C1=C(C2=C(S1)N=CNC2=O)C(=O)N
InChI
InChI=1S/C7H5N3O2S/c8-5(11)3-1-13-7-4(3)6(12)9-2-10-7/h1-2H,(H2,8,11)(H,9,10,12)
InChIKey
CENLVQSIEROTNB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
48.76
TPSA
88.84

LogP / Solubility

WLOGP
0.08
MLOGP
0.07
XLogP3
-0.4
Consensus LogP
-0.08
Log S (ESOL)
-1.55
Class (ESOL)
Soluble
Log S (Ali)
-1.22
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.12
Class (SILICOS-IT)
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)
-3.85

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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