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CAS 1086386-53-9 Methyl 4-oxo-4H-pyrido[1,2-a]thieno[2,3-d]pyriMidine-2-carboxylate molecular structure lightbox
CAS RN: 1086386-53-9

Methyl 4-oxo-4H-pyrido[1,2-a]thieno[2,3-d]pyriMidine-2-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251108 100mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-009904
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1086386-53-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

1086386-53-9 / methyl 2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxylate

methyl 4-oxo-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxylate | methyl 2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxylate | MFCD11655639

Standard CAS: 1086386-53-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1086386-53-9
Multi CAS
No
Molecular Formula
C12H8N2O3S
Molecular Weight
260.270000
Exact Mass
260.025563
SMILES
COC(=O)C1=CC2=C(S1)N=C3C=CC=CN3C2=O
InChI
InChI=1S/C12H8N2O3S/c1-17-12(16)8-6-7-10(18-8)13-9-4-2-3-5-14(9)11(7)15/h2-6H,1H3
InChIKey
LQLPOPKOTYTEJT-UHFFFAOYSA-N
Synonyms
methyl 4-oxo-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxylate methyl 2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxylate MFCD11655639 AKOS015958417 CCG-310214

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
13
Fraction Csp3
0.08
Rotatable bonds
1
H-bond acceptors
6
Molar refractivity
68.18
TPSA
60.67

LogP / Solubility

WLOGP
1.7
MLOGP
1.5
XLogP3
1.7
Consensus LogP
1.63
Log S (ESOL)
-2.99
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.92
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.88
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.1

Drug-likeness / Medicinal Chemistry

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

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