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CAS 1103926-82-4 TM 5275 molecular structure lightbox
CAS RN: 1103926-82-4

TM 5275

Product Availability

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7 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250512 100mg In stock Shanghai Inquiry
Batchno.20250123 10mg In stock Shanghai Inquiry
Batchno.20250427 1mg / 5mg / 25mg Confirm by inquiry Shanghai Inquiry
Batchno.20260219 250mg Out of stock Inquiry
Batchno.20251101 25mg In stock Shanghai Inquiry
Batchno.20260125 50mg In stock Shanghai Inquiry
Batchno.20260126 5mg In stock Shanghai Inquiry
  • Product code: SSC-011476
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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 1103926-82-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

1103926-82-4 / sodium 2-[[2-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethoxy]acetyl]amino]-5-chlorobenzoate

TM5275 sodium salt | RefChem:898521 | 110-176-1

Standard CAS: 1103926-82-4 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1103926-82-4
Multi CAS
Yes
Molecular Formula
C28H27ClN3NaO5
Molecular Weight
544.000000
Exact Mass
543.153693
SMILES
C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)COCC(=O)NC4=C(C=C(C=C4)Cl)C(=O)[O-].[Na+]
InChI
InChI=1S/C28H28ClN3O5.Na/c29-22-11-12-24(23(17-22)28(35)36)30-25(33)18-37-19-26(34)31-13-15-32(16-14-31)27(20-7-3-1-4-8-20)21-9-5-2-6-10-21;/h1-12,17,27H,13-16,18-19H2,(H,30,33)(H,35,36);/q;+1/p-1
InChIKey
JSHSGBIWNPQCQZ-UHFFFAOYSA-M
Synonyms
TM5275 sodium salt RefChem:898521 110-176-1 TM 5275 sodium salt TM5275 sodium

Computed Properties

Structural Parameters

Heavy atom count
38
Aromatic heavy atom count
18
Fraction Csp3
0.25
Rotatable bonds
9
H-bond acceptors
6
H-bond donors
1
Molar refractivity
138.11
TPSA
102.01

LogP / Solubility

WLOGP
-0.4
MLOGP
-0.31
XLogP3
-0.4
Consensus LogP
-0.37
Log S (ESOL)
-2.71
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.73
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.94
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
Low
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)
-6.32

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5

Safety & Transport

Pictogram(s)
Irritant Environmental Hazard
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Precautionary Statement Codes
P264, P270, P273, P301+P317, P330, P391, and P501

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