Roxifiban
TL;DR: Roxifiban (CAS 170902-47-3) is a chemical compound with molecular formula C21H29N5O6 and molecular weight 447.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-2-(butoxycarbonylamino)-3-[[2-[(5R)-3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetyl]amino]propanoate
Also Known As: Roxifiban, roxifibanum, Roxifiban [INN], ROXIFIBAN [WHO-DD], methyl (2S)-2-(butoxycarbonylamino)-3-[[2-[(5R)-3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetyl]amino]propanoate
| Molecular Formula | C21H29N5O6 |
|---|---|
| Molecular Weight | 447.21 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 165.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 13 |
| Exact Mass | 447.2118 |
| Heavy Atoms | 32 |
| Complexity | 705.0 |
Chemical Identifiers
| CAS Number | 170902-47-3 |
|---|---|
| SMILES | CCCCOC(=O)N[C@@H](CNC(=O)C[C@H]1CC(=NO1)C2=CC=C(C=C2)C(=N)N)C(=O)OC |
| InChIKey | IRAXRQFCCSHQDX-WBVHZDCISA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Roxifiban (CAS 170902-47-3), with molecular formula C21H29N5O6 and molecular weight 447.21 g/mol. IUPAC: methyl (2S)-2-(butoxycarbonylamino)-3-[[2-[(5R)-3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetyl]amino]propanoate.
Chemical Property Profile of Roxifiban
Property Insights of Roxifiban
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Roxifiban. The TPSA of 165.0 Ų indicates high polarity, suggesting Roxifiban may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Roxifiban has 4 hydrogen bond donor(s) and 8 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 Roxifiban?
The CAS number of Roxifiban is 170902-47-3.
What is the molecular formula of Roxifiban?
The molecular formula of Roxifiban is C21H29N5O6.
What is the molecular weight of Roxifiban?
The molecular weight of Roxifiban is 447.21 g/mol.
Where can I buy Roxifiban?
You can request a quote for Roxifiban directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Roxifiban?
Yes, KEHONG BIO provides custom synthesis services for Roxifiban and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.