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CAS 35970-79-7 4-CHLORO-6-PHENYLTHIENO[2,3-D]PYRIMIDINE molecular structure lightbox
CAS RN: 35970-79-7

4-CHLORO-6-PHENYLTHIENO[2,3-D]PYRIMIDINE

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250503 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS35970-79-7
  • Purity/Analytical Methods: >99.0%
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35970-79-7 / 4-chloro-6-phenylthieno[2,3-d]pyrimidine

Standard CAS: 35970-79-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
35970-79-7
Multi CAS
No
Molecular Formula
C12H7CLN2S
Molecular Weight
246.720000
Exact Mass
246.001847
InChI
InChI=1S/C12H7ClN2S/c13-11-9-6-10(8-4-2-1-3-5-8)16-12(9)15-7-14-11/h1-7H
InChIKey
WJFATWIQZZNARY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
15
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
67.86
TPSA
25.78

LogP / Solubility

WLOGP
4.01
MLOGP
3.54
XLogP3
4.2
Consensus LogP
3.92
Log S (ESOL)
-4.52
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.48
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.71
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.38

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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