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CAS 1135299-23-8 Ethyl 2-chlorothieno[3,2-d]pyrimidine-4-carboxylate molecular structure lightbox
CAS RN: 1135299-23-8

Ethyl 2-chlorothieno[3,2-d]pyrimidine-4-carboxylate

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250811 50mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1135299-23-8
  • Purity/Analytical Methods: >99.0%
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1135299-23-8 / ethyl 2-chlorothieno[3,2-d]pyrimidine-4-carboxylate

ethyl 2-chlorothieno[3,2-d]pyrimidine-4-carboxylate | MFCD17214222 | SCHEMBL3661138

Standard CAS: 1135299-23-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1135299-23-8
Multi CAS
No
Molecular Formula
C9H7ClN2O2S
Molecular Weight
242.680000
Exact Mass
241.991676
SMILES
CCOC(=O)C1=NC(=NC2=C1SC=C2)Cl
InChI
InChI=1S/C9H7ClN2O2S/c1-2-14-8(13)6-7-5(3-4-15-7)11-9(10)12-6/h3-4H,2H2,1H3
InChIKey
CBZDCLKMFFKYCC-UHFFFAOYSA-N
Synonyms
ethyl 2-chlorothieno[3,2-d]pyrimidine-4-carboxylate MFCD17214222 SCHEMBL3661138 SB13731 BS-51506

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
58.38
TPSA
52.08

LogP / Solubility

WLOGP
2.52
MLOGP
2.22
XLogP3
2.8
Consensus LogP
2.51
Log S (ESOL)
-3.25
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.37
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.57
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.41

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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