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CAS 309936-77-4 2-CHLORO-6-FLUOROBENZYL(METHYL)SULFAMOYL CHLORIDE molecular structure lightbox
CAS RN: 309936-77-4

2-CHLORO-6-FLUOROBENZYL(METHYL)SULFAMOYL CHLORIDE

  • Product code: SSC-136184
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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: ≥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 309936-77-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

309936-77-4 / 3-methoxy-4-(pyridin-4-ylmethoxy)benzaldehyde

Standard CAS: 309936-77-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
309936-77-4
Multi CAS
Yes
Molecular Formula
C14H13NO3
Molecular Weight
243.260000
Exact Mass
243.089543
InChI
InChI=1S/C14H13NO3/c1-17-14-8-12(9-16)2-3-13(14)18-10-11-4-6-15-7-5-11/h2-9H,10H2,1H3
InChIKey
JSFYMQUBZVFHHJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
66.95
TPSA
48.42

LogP / Solubility

WLOGP
2.48
MLOGP
2.19
XLogP3
1.8
Consensus LogP
2.16
Log S (ESOL)
-3.08
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.35
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.9
Class (SILICOS-IT)
Poorly 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)
-2.44

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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