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CAS 1799610-97-1 5-bromo-4-chloro-6-(5-fluorofuran-2-yl)thieno[2,3-d]pyrimidine molecular structure lightbox
CAS RN: 1799610-97-1

5-bromo-4-chloro-6-(5-fluorofuran-2-yl)thieno[2,3-d]pyrimidine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260608 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1799610-97-1
  • Purity/Analytical Methods: >99.0%
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1799610-97-1 / 5-bromo-4-chloro-6-(5-fluorofuran-2-yl)thieno[2,3-d]pyrimidine

Standard CAS: 1799610-97-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1799610-97-1
Multi CAS
No
Molecular Formula
C10H3BrClFN2OS
Molecular Weight
333.560000
Exact Mass
331.882200
SMILES
C1=C(OC(=C1)F)C2=C(C3=C(S2)N=CN=C3Cl)Br
InChI
InChI=1S/C10H3BrClFN2OS/c11-7-6-9(12)14-3-15-10(6)17-8(7)4-1-2-5(13)16-4/h1-3H
InChIKey
OEBAPNYAYMNZBF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
14
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
67.79
TPSA
38.92

LogP / Solubility

WLOGP
4.51
MLOGP
3.98
XLogP3
4.4
Consensus LogP
4.3
Log S (ESOL)
-5.29
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.55
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.69
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.56

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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