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CAS 1080-44-0 N-(p-Toluenesulfonyl)glycine molecular structure lightbox
CAS RN: 1080-44-0

N-(p-Toluenesulfonyl)glycine

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250518 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong, Guangdong 5-7 business days Inquiry
  • Product code: SSC-009312
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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: 100g
  • Available purity: ≥97%
  • 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 1080-44-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥97% 0 Out of Stock Shenzhen Inquiry

1080-44-0 / 2-[(4-methylphenyl)sulfonylamino]acetic acid

N-p-Tosylglycine | N-[(4-methylphenyl)sulfonyl]glycine | N-4-Tosylglycine

Standard CAS: 1080-44-0 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1080-44-0
Multi CAS
Yes
Molecular Formula
C9H11NO4S
Molecular Weight
229.260000
Exact Mass
229.040879
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)O
InChI
InChI=1S/C9H11NO4S/c1-7-2-4-8(5-3-7)15(13,14)10-6-9(11)12/h2-5,10H,6H2,1H3,(H,11,12)
InChIKey
VDKFCCZUCXYILI-UHFFFAOYSA-N
Synonyms
N-p-Tosylglycine N-[(4-methylphenyl)sulfonyl]glycine N-4-Tosylglycine DTXSID00148355 N-((4-Methylphenyl)sulfonyl)glycine

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
54
TPSA
83.47

LogP / Solubility

WLOGP
0.36
MLOGP
0.32
XLogP3
0.8
Consensus LogP
0.49
Log S (ESOL)
-1.52
Class (ESOL)
Soluble
Log S (Ali)
-1.7
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.93
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.86

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (97.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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