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CAS 329269-49-0 4-FLUORO-3-(2-METHOXY-PHENYLSULFAMOYL)-BENZOIC ACID molecular structure lightbox
CAS RN: 329269-49-0

4-FLUORO-3-(2-METHOXY-PHENYLSULFAMOYL)-BENZOIC ACID

  • Product code: SSC-138722
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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 329269-49-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

329269-49-0 / 4-fluoro-3-[(2-methoxyphenyl)sulfamoyl]benzoic acid

Standard CAS: 329269-49-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
329269-49-0
Multi CAS
No
Molecular Formula
C14FH12NO5S
Molecular Weight
325.310000
Exact Mass
325.042022
InChI
InChI=1S/C14H12FNO5S/c1-21-12-5-3-2-4-11(12)16-22(19,20)13-8-9(14(17)18)6-7-10(13)15/h2-8,16H,1H3,(H,17,18)
InChIKey
TYZXWGKLDYCGBM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
2
Molar refractivity
77.16
TPSA
92.7

LogP / Solubility

WLOGP
2.33
MLOGP
2.07
XLogP3
1.9
Consensus LogP
2.1
Log S (ESOL)
-3.4
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.91
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.31
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.05

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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