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CAS 174740-80-8 1-[(4-methylphenyl)sulfonyl]-2-azetidinecarboxylic acid molecular structure lightbox
CAS RN: 174740-80-8

1-[(4-methylphenyl)sulfonyl]-2-azetidinecarboxylic acid

Product Availability

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4 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250911 100mg Out of stock Inquiry
Batchno.20260406 1g Out of stock Inquiry
Batchno.20250310 250mg Out of stock Inquiry
Batchno.20250806 250mg / 1g / 10g Out of stock 8-10 business days Inquiry
  • Product code: SSC-076653
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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: 0.1g
  • 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 174740-80-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry

174740-80-8 / (2R)-1-(4-methylphenyl)sulfonylazetidine-2-carboxylic acid

Standard CAS: 174740-80-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
174740-80-8
Multi CAS
No
Molecular Formula
C11H13NO4S
Molecular Weight
255.290000
Exact Mass
255.056529
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N2CC[C@@H]2C(=O)O
InChI
InChI=1S/C11H13NO4S/c1-8-2-4-9(5-3-8)17(15,16)12-7-6-10(12)11(13)14/h2-5,10H,6-7H2,1H3,(H,13,14)/t10-/m1/s1
InChIKey
PCZMDMOEFYSSGY-SNVBAGLBSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
61.11
TPSA
74.68

LogP / Solubility

WLOGP
0.84
MLOGP
0.75
XLogP3
1.2
Consensus LogP
0.93
Log S (ESOL)
-2.02
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.26
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.38
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.68

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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