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CAS 146330-68-9 7-(2-chloropropanoyl)-5H-[1]benzopyrano[2,3-b]pyridine molecular structure lightbox
CAS RN: 146330-68-9

7-(2-chloropropanoyl)-5H-[1]benzopyrano[2,3-b]pyridine

  • Product code: SSC-057399
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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: 5g
  • 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 146330-68-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

146330-68-9 / 2-chloro-1-(5H-chromeno[2,3-b]pyridin-7-yl)propan-1-one

Standard CAS: 146330-68-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
146330-68-9
Multi CAS
No
Molecular Formula
C15H12ClNO2
Molecular Weight
273.710000
Exact Mass
273.055656
SMILES
CC(C(=O)C1=CC2=C(C=C1)OC3=C(C2)C=CC=N3)Cl
InChI
InChI=1S/C15H12ClNO2/c1-9(16)14(18)10-4-5-13-12(7-10)8-11-3-2-6-17-15(11)19-13/h2-7,9H,8H2,1H3
InChIKey
JGBGIEPSSRGFBG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
73.2
TPSA
39.19

LogP / Solubility

WLOGP
3.59
MLOGP
3.17
XLogP3
3.4
Consensus LogP
3.39
Log S (ESOL)
-4.13
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.66
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)
-1.84

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
2

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