![CAS 1029144-47-5 Methyl thieno[3,2-d]pyrimidine-4-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1029144-47-5.gif)
CAS RN: 1029144-47-5
Methyl thieno[3,2-d]pyrimidine-4-carboxylate
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.20251214 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1029144-47-5
- Purity/Analytical Methods: >99.0%
1029144-47-5 / methyl thieno[3,2-d]pyrimidine-4-carboxylate
METHYL THIENO[3,2-D]PYRIMIDINE-4-CARBOXYLATE | MFCD22566149 | SCHEMBL14074693
Basic Information
CAS
1029144-47-5
Multi CAS
No
Molecular Formula
C8H6N2O2S
Molecular Weight
194.210000
Exact Mass
194.014999
SMILES
COC(=O)C1=NC=NC2=C1SC=C2
InChI
InChI=1S/C8H6N2O2S/c1-12-8(11)6-7-5(2-3-13-7)9-4-10-6/h2-4H,1H3
InChIKey
KJQJFAKBXWTHLA-UHFFFAOYSA-N
Synonyms
METHYL THIENO[3,2-D]PYRIMIDINE-4-CARBOXYLATE
MFCD22566149
SCHEMBL14074693
DTXSID701256104
AKOS025403234
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
48.75
TPSA
52.08
LogP / Solubility
WLOGP
1.48
MLOGP
1.3
XLogP3
1
Consensus LogP
1.26
Log S (ESOL)
-2.42
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.22
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.27
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)
-2.86
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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