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CAS 27407-06-3 6,7-DICHLOROCHROMAN-4-ONE molecular structure lightbox
CAS RN: 27407-06-3

6,7-DICHLOROCHROMAN-4-ONE

  • Product code: SSC-126669
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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: 0.25g
  • Available purity: ＞97%
  • 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 27407-06-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Shanghai Inquiry

27407-06-3 / 6,7-dichloro-2,3-dihydrochromen-4-one

Standard CAS: 27407-06-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
27407-06-3
Multi CAS
No
Molecular Formula
C9H6CL2O2
Molecular Weight
217.050000
Exact Mass
215.974485
InChI
InChI=1S/C9H6Cl2O2/c10-6-3-5-8(12)1-2-13-9(5)4-7(6)11/h3-4H,1-2H2
InChIKey
KKDHVYHUAYOZCR-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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