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CAS 1318242-98-6 4-aMinothieno[3,2-d]pyriMidine-7-carboxylic acid molecular structure lightbox
CAS RN: 1318242-98-6

4-aMinothieno[3,2-d]pyriMidine-7-carboxylic acid

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250810 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1318242-98-6
  • Purity/Analytical Methods: >99.0%
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1318242-98-6 / 4-aminothieno[3,2-d]pyrimidine-7-carboxylic acid

Standard CAS: 1318242-98-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1318242-98-6
Multi CAS
No
Molecular Formula
C7H5N3O2S
Molecular Weight
195.200000
Exact Mass
195.010248
SMILES
C1=C(C2=C(S1)C(=NC=N2)N)C(=O)O
InChI
InChI=1S/C7H5N3O2S/c8-6-5-4(9-2-10-6)3(1-13-5)7(11)12/h1-2H,(H,11,12)(H2,8,9,10)
InChIKey
XHAMZTOKACCSNT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
2
Molar refractivity
48.79
TPSA
89.1

LogP / Solubility

WLOGP
0.97
MLOGP
0.85
XLogP3
0.5
Consensus LogP
0.77
Log S (ESOL)
-2.11
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.86
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.86
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)
-3.22

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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