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CAS 457911-10-3 methyl 5-methyl-4-oxo-1,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate molecular structure lightbox
CAS RN: 457911-10-3

methyl 5-methyl-4-oxo-1,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate

Product Availability

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2 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250728 100mg / 500mg Out of stock 15 business days Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250416 5mg / 25mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS457911-10-3
  • Purity/Analytical Methods: >99.0%
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457911-10-3 / methyl 5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Standard CAS: 457911-10-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
457911-10-3
Multi CAS
Yes
Molecular Formula
C9H8N2O3S
Molecular Weight
224.240000
Exact Mass
224.025563
InChI
InChI=1S/C9H8N2O3S/c1-4-5-7(12)10-3-11-8(5)15-6(4)9(13)14-2/h3H,1-2H3,(H,10,11,12)
InChIKey
TUJMJWUVDRWTFM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
56.32
TPSA
72.05

LogP / Solubility

WLOGP
1.08
MLOGP
0.95
XLogP3
1.3
Consensus LogP
1.11
Log S (ESOL)
-2.29
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.18
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.13
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)
-3.32

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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