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CAS 76143-71-0 4H-1-Benzopyran-4-one, 5,7-dichloro-2,3-dihydro- molecular structure lightbox
CAS RN: 76143-71-0

4H-1-Benzopyran-4-one, 5,7-dichloro-2,3-dihydro-

  • Product code: SSC-185583
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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 76143-71-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

76143-71-0 / 5,7-dichloro-2,3-dihydrochromen-4-one

Standard CAS: 76143-71-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
76143-71-0
Multi CAS
No
Molecular Formula
C9H6CL2O2
Molecular Weight
217.050000
Exact Mass
215.974485
InChI
InChI=1S/C9H6Cl2O2/c10-5-3-6(11)9-7(12)1-2-13-8(9)4-5/h3-4H,1-2H2
InChIKey
LTWDKHFUIPDBEU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.22
H-bond acceptors
2
Molar refractivity
50.9
TPSA
26.3

LogP / Solubility

WLOGP
2.96
MLOGP
2.61
XLogP3
2.6
Consensus LogP
2.72
Log S (ESOL)
-3.39
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.48
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.53
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.94

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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