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CAS 337494-85-6 (BENZENESULFONYL-FURAN-2-YLMETHYL-AMINO)-ACETIC ACID molecular structure lightbox
CAS RN: 337494-85-6

(BENZENESULFONYL-FURAN-2-YLMETHYL-AMINO)-ACETIC ACID

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6 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250614 100mg In stock Inquiry
Batchno.20251025 10mg In stock Inquiry
Batchno.20260323 25mg In stock Inquiry
Batchno.20250409 50mg In stock Inquiry
Batchno.20250612 5mg In stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250514 5mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS337494-85-6
  • Purity/Analytical Methods: >99.0%
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337494-85-6 / 2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetic acid

Standard CAS: 337494-85-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
337494-85-6
Multi CAS
Yes
Molecular Formula
C13H13NO5S
Molecular Weight
295.310000
Exact Mass
295.051444
InChI
InChI=1S/C13H13NO5S/c15-13(16)10-14(9-11-5-4-8-19-11)20(17,18)12-6-2-1-3-7-12/h1-8H,9-10H2,(H,15,16)
InChIKey
CJROUZFQNICTKL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
11
Fraction Csp3
0.15
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
1
Molar refractivity
70.38
TPSA
87.82

LogP / Solubility

WLOGP
1.56
MLOGP
1.38
XLogP3
1.3
Consensus LogP
1.41
Log S (ESOL)
-2.66
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.1
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.59
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.42

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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