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CAS 155087-15-3 Methyl 4-aminothieno[2,3-d]pyrimidine-6-carboxylate molecular structure lightbox
CAS RN: 155087-15-3

Methyl 4-aminothieno[2,3-d]pyrimidine-6-carboxylate

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250630 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS155087-15-3
  • Purity/Analytical Methods: >99.0%
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155087-15-3 / methyl 4-aminothieno[2,3-d]pyrimidine-6-carboxylate

Standard CAS: 155087-15-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
155087-15-3
Multi CAS
No
Molecular Formula
C8H7N3O2S
Molecular Weight
209.230000
Exact Mass
209.025898
SMILES
COC(=O)C1=CC2=C(N=CN=C2S1)N
InChI
InChI=1S/C8H7N3O2S/c1-13-8(12)5-2-4-6(9)10-3-11-7(4)14-5/h2-3H,1H3,(H2,9,10,11)
InChIKey
ZEWBGJXFMLNCFV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
6
H-bond donors
1
Molar refractivity
53.17
TPSA
78.1

LogP / Solubility

WLOGP
1.06
MLOGP
0.93
XLogP3
1.4
Consensus LogP
1.13
Log S (ESOL)
-2.21
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.04
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.02
Class (SILICOS-IT)
Moderately 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)
-3.24

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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