Domitroban
TL;DR: Domitroban (CAS 132747-47-8) is a chemical compound with molecular formula C20H27NO4S and molecular weight 377.16608 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(Z)-7-[(1R,2S,3S,4S)-3-(benzenesulfonamido)-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid
Also Known As: Domitroban, domitrobanum, Amboxan, Anboxan, Domitroban [INN]
Technical Specifications
| Molecular Formula | C20H27NO4S |
| Molecular Weight | 377.16608 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 91.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 377.16608 Da |
| Heavy Atoms | 26 |
| Complexity | 604.0 |
| SMILES | C1C[C@H]2C[C@@H]1[C@@H]([C@H]2NS(=O)(=O)C3=CC=CC=C3)C/C=C\CCCC(=O)O |
| InChIKey | PWTCIBWRMQFJBC-ZEMKZVSASA-N |
Chemical Property Profile of Domitroban
Property Insights of Domitroban
The XLogP value of 3.6 indicates that Domitroban is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Domitroban. Following Lipinski's Rule of Five, Domitroban has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Domitroban?
The CAS number of Domitroban is 132747-47-8.
What is the molecular formula of Domitroban?
The molecular formula of Domitroban is C20H27NO4S.
What is the molecular weight of Domitroban?
The molecular weight of Domitroban is 377.16608 g/mol.
Where can I buy Domitroban?
You can request a quote for Domitroban directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Domitroban?
Yes, CoreyChem provides custom synthesis services for Domitroban and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.