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CAS 603118-18-9 3-[[(2-FURYLMETHYL)AMINO]SULFONYL]BENZOIC ACID molecular structure lightbox
CAS RN: 603118-18-9

3-[[(2-FURYLMETHYL)AMINO]SULFONYL]BENZOIC ACID

  • Product code: SSC-168894
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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: 1g
  • 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 603118-18-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

603118-18-9 / 3-(furan-2-ylmethylsulfamoyl)benzoic acid

Standard CAS: 603118-18-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
603118-18-9
Multi CAS
No
Molecular Formula
C12H11NO5S
Molecular Weight
281.290000
Exact Mass
281.035794
InChI
InChI=1S/C12H11NO5S/c14-12(15)9-3-1-5-11(7-9)19(16,17)13-8-10-4-2-6-18-10/h1-7,13H,8H2,(H,14,15)
InChIKey
WGFFBVJRQFLJBY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
11
Fraction Csp3
0.08
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
2
Molar refractivity
66.13
TPSA
96.61

LogP / Solubility

WLOGP
1.46
MLOGP
1.29
XLogP3
1
Consensus LogP
1.25
Log S (ESOL)
-2.6
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.92
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.3
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.4

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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