Roxifiban Acetate
TL;DR: Roxifiban Acetate (CAS 20950-96-3) is a chemical compound with molecular formula C23H33N5O8 and molecular weight 507.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
acetic acid;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 acetate, Roxifiban, Lumaxis, Roxifiban (acetate), Roxifiban acetate [USAN]
| Molecular Formula | C23H33N5O8 |
|---|---|
| Molecular Weight | 507.23 g/mol |
| LogP | 1.12877 |
| Topological Polar Surface Area | 202.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 13 |
| Exact Mass | 507.2329 |
| Heavy Atoms | 36 |
| Complexity | 736.0 |
Chemical Identifiers
| CAS Number | 20950-96-3 |
|---|---|
| SMILES | CCCCOC(=O)N[C@@H](CNC(=O)C[C@H]1CC(=NO1)C2=CC=C(C=C2)C(=N)N)C(=O)OC.CC(=O)O |
| InChIKey | WDEMHBVIYZGQCD-KALLACGZSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Roxifiban Acetate (CAS 20950-96-3), with molecular formula C23H33N5O8 and molecular weight 507.23 g/mol. IUPAC: acetic acid;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 Acetate
Property Insights of Roxifiban Acetate
The XLogP value of 1.12877 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Roxifiban Acetate. The TPSA of 202.0 Ų indicates high polarity, suggesting Roxifiban Acetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Roxifiban Acetate has 5 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Roxifiban Acetate?
The CAS number of Roxifiban Acetate is 20950-96-3.
What is the molecular formula of Roxifiban Acetate?
The molecular formula of Roxifiban Acetate is C23H33N5O8.
What is the molecular weight of Roxifiban Acetate?
The molecular weight of Roxifiban Acetate is 507.23 g/mol.
Where can I buy Roxifiban Acetate?
You can request a quote for Roxifiban Acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Roxifiban Acetate?
Yes, KEHONG BIO provides custom synthesis services for Roxifiban Acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.