Ramatroban
TL;DR: Ramatroban (CAS 116649-85-5) is a chemical compound with molecular formula C21H21FN2O4S and molecular weight 416.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C21H21FN2O4S |
|---|---|
| Molecular Weight | 416.12 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 96.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 416.1206 |
| Heavy Atoms | 29 |
| Complexity | 689.0 |
Chemical Identifiers
| CAS Number | 116649-85-5 |
|---|---|
| SMILES | C1CC2=C(CC1NS(=O)(=O)C3=CC=C(C=C3)F)C4=CC=CC=C4N2CCC(=O)O |
| InChIKey | LDXDSHIEDAPSSA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ramatroban (CAS 116649-85-5), with molecular formula C21H21FN2O4S and molecular weight 416.12 g/mol. IUPAC: 3-[3-[(4-fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid.
Chemical Property Profile of Ramatroban
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
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 416.12 g/mol.
Where can I buy Ramatroban?
You can request a quote for Ramatroban directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ramatroban?
Yes, KEHONG BIO provides custom synthesis services for Ramatroban and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.