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CAS 83548-60-1 4-CHLORO-5,6-DIMETHYL-2-PHENYLTHIENO[2,3-D]PYRIMIDINE molecular structure lightbox
CAS RN: 83548-60-1

4-CHLORO-5,6-DIMETHYL-2-PHENYLTHIENO[2,3-D]PYRIMIDINE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260508 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS83548-60-1
  • Purity/Analytical Methods: >99.0%
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83548-60-1 / 4-chloro-5,6-dimethyl-2-phenylthieno[2,3-d]pyrimidine

Standard CAS: 83548-60-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
83548-60-1
Multi CAS
No
Molecular Formula
C14H11CLN2S
Molecular Weight
274.800000
Exact Mass
274.033147
InChI
InChI=1S/C14H11ClN2S/c1-8-9(2)18-14-11(8)12(15)16-13(17-14)10-6-4-3-5-7-10/h3-7H,1-2H3
InChIKey
FEPVLPABTTUIHK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
15
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
77.34
TPSA
25.78

LogP / Solubility

WLOGP
4.63
MLOGP
4.08
XLogP3
4.9
Consensus LogP
4.54
Log S (ESOL)
-5.01
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.15
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.41
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)
-1.11

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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