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CAS 379255-74-0 3-(METHYL-P-TOLYL-SULFAMOYL)-BENZOIC ACID molecular structure lightbox
CAS RN: 379255-74-0

3-(METHYL-P-TOLYL-SULFAMOYL)-BENZOIC ACID

  • Product code: SSC-145382
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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 379255-74-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

379255-74-0 / 3-[methyl-(4-methylphenyl)sulfamoyl]benzoic acid

Standard CAS: 379255-74-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
379255-74-0
Multi CAS
No
Molecular Formula
C15H15NO4S
Molecular Weight
305.400000
Exact Mass
305.072179
InChI
InChI=1S/C15H15NO4S/c1-11-6-8-13(9-7-11)16(2)21(19,20)14-5-3-4-12(10-14)15(17)18/h3-10H,1-2H3,(H,17,18)
InChIKey
MRWUMIFMAAZEJD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
80.17
TPSA
74.68

LogP / Solubility

WLOGP
2.52
MLOGP
2.23
XLogP3
2.5
Consensus LogP
2.42
Log S (ESOL)
-3.48
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.88
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.22
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.79

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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