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CAS 1152475-40-5 2-Chloro-7-iodothieno[3,2-d]pyrimidine molecular structure lightbox
CAS RN: 1152475-40-5

2-Chloro-7-iodothieno[3,2-d]pyrimidine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251215 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1152475-40-5
  • Purity/Analytical Methods: >99.0%
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1152475-40-5 / 2-chloro-7-iodothieno[3,2-d]pyrimidine

2-Chloro-7-iodothieno[3,2-d]pyrimidine | Thieno[3,2-d]pyrimidine, 2-chloro-7-iodo- | MFCD12406129

Standard CAS: 1152475-40-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1152475-40-5
Multi CAS
No
Molecular Formula
C6H2ClIN2S
Molecular Weight
296.520000
Exact Mass
295.867190
SMILES
C1=C2C(=NC(=N1)Cl)C(=CS2)I
InChI
InChI=1S/C6H2ClIN2S/c7-6-9-1-4-5(10-6)3(8)2-11-4/h1-2H
InChIKey
KOQRTQSXTRRFIK-UHFFFAOYSA-N
Synonyms
2-Chloro-7-iodothieno[3,2-d]pyrimidine Thieno[3,2-d]pyrimidine, 2-chloro-7-iodo- MFCD12406129 2-chloro-7-iodo-Thieno[3,2-d]pyrimidine SCHEMBL1674236

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
3
Molar refractivity
55.14
TPSA
25.78

LogP / Solubility

WLOGP
2.95
MLOGP
2.61
XLogP3
2.9
Consensus LogP
2.82
Log S (ESOL)
-4.14
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.12
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.04
Class (SILICOS-IT)
Slightly 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)
-2.43

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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