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CAS 1799610-93-7 4-Chloro-6-ethyl-5-iodothieno[2,3-d]pyrimidine molecular structure lightbox
CAS RN: 1799610-93-7

4-Chloro-6-ethyl-5-iodothieno[2,3-d]pyrimidine

  • Product code: SSC-080308
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1799610-93-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1799610-93-7 / 4-chloro-6-ethyl-5-iodothieno[2,3-d]pyrimidine

Standard CAS: 1799610-93-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1799610-93-7
Multi CAS
No
Molecular Formula
C8H6ClIN2S
Molecular Weight
324.570000
Exact Mass
323.898490
SMILES
CCC1=C(C2=C(S1)N=CN=C2Cl)I
InChI
InChI=1S/C8H6ClIN2S/c1-2-4-6(10)5-7(9)11-3-12-8(5)13-4/h3H,2H2,1H3
InChIKey
MOUNVTUFUIBMMH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
64.52
TPSA
25.78

LogP / Solubility

WLOGP
3.51
MLOGP
3.11
XLogP3
4
Consensus LogP
3.54
Log S (ESOL)
-4.51
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.76
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.8
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.21

Drug-likeness / Medicinal Chemistry

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

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