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Ramatroban structure
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Ramatroban

TL;DR: Ramatroban (CAS 116649-85-5) is a chemical compound with molecular formula C21H21FN2O4S and molecular weight 416.1206 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

3-[3-[(4-fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid

Also Known As: Ramatroban, BAY-u3405, 3-[3-[(4-fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid, Bay u 3406; Bay u-3405; BAY u3405, 2,5-THIOPHENEDICARBOXYLICACIDMONOETHYLESTER

CAS Number
116649-85-5
Molecular Formula
C21H21FN2O4S
Molecular Weight
416.1206 g/mol
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Application Areas

Top 5 of 10 IPC patent classification(s) from the SureChEMBL global patent database.

Agrochemicals (2 patents) Analytical Reagents (5 patents) Biotechnology (2 patents) Heterocyclic Building Blocks (204 patents) Organic Building Blocks (37 patents)

Technical Specifications

Molecular FormulaC21H21FN2O4S
Molecular Weight416.1206 g/mol
XLogP2.9
Topological Polar Surface Area (TPSA)96.8 Ų
Hydrogen Bond Donors2
Hydrogen Bond Acceptors6
Rotatable Bonds6
Exact Mass416.1206 Da
Heavy Atoms29
Complexity689.0
SMILESC1CC2=C(CC1NS(=O)(=O)C3=CC=C(C=C3)F)C4=CC=CC=C4N2CCC(=O)O
InChIKeyLDXDSHIEDAPSSA-UHFFFAOYSA-N

Chemical Property Profile of Ramatroban

XLogP
2.9
TPSA (Topological Polar Surface Area)
96.8
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
6
Rotatable Bonds
6
Heavy Atoms
29
Complexity
689.0
Exact Mass
416.1206
Monoisotopic Mass
416.1206
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of Ramatroban

The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ramatroban. The TPSA of 96.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Ramatroban. Following Lipinski's Rule of Five, Ramatroban has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of Ramatroban?

The CAS number of Ramatroban is 116649-85-5.

What is the molecular formula of Ramatroban?

The molecular formula of Ramatroban is C21H21FN2O4S.

What is the molecular weight of Ramatroban?

The molecular weight of Ramatroban is 416.1206 g/mol.

Where can I buy Ramatroban?

You can request a quote for Ramatroban directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for Ramatroban?

Yes, CoreyChem provides custom synthesis services for Ramatroban and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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