Beraprost Impurity 63
TL;DR: Beraprost Impurity 63 (CAS 943544-75-0) is a chemical compound with molecular formula C25H32O5 and molecular weight 412.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(1R,2R,3aS,8bS)-2-hydroxy-1-[(E,3S)-3-hydroxy-4-methyloct-1-en-6-ynyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-5-yl]butanoate
Also Known As: Beraprost Impurity 7, Beraprost Impurity 63, Beraprost Impurity 64, J1.025.921E, (1R,2R,3aS,8bS)-1-[(1E,3S)-3-Hydroxy-4-methyl-1-octene-6-ynyl]-2-hydroxy-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]benzofuran-5-butanoic acid methyl ester
| Molecular Formula | C25H32O5 |
|---|---|
| Molecular Weight | 412.22 g/mol |
| LogP | 3.3743 |
| Topological Polar Surface Area | 75.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 412.22498 |
| Heavy Atoms | 30 |
| Complexity | 833.67615 |
Chemical Identifiers
| CAS Number | 943544-75-0 |
|---|---|
| SMILES | CC#CCC(C)[C@@H](/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1C3=CC=CC(=C3O2)CCCC(=O)OC)O)O |
Product Overview
Beraprost Impurity 63 (CAS 943544-75-0), with molecular formula C25H32O5 and molecular weight 412.22 g/mol. IUPAC: methyl 4-[(1R,2R,3aS,8bS)-2-hydroxy-1-[(E,3S)-3-hydroxy-4-methyloct-1-en-6-ynyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-5-yl]butanoate.
Chemical Property Profile of Beraprost Impurity 63
Property Insights of Beraprost Impurity 63
The XLogP value of 3.3743 indicates that Beraprost Impurity 63 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.99 Ų falls within the moderate polarity range, balancing permeability and solubility for Beraprost Impurity 63. Following Lipinski's Rule of Five, Beraprost Impurity 63 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
Frequently Asked Questions
What is the CAS number of Beraprost Impurity 63?
The CAS number of Beraprost Impurity 63 is 943544-75-0.
What is the molecular formula of Beraprost Impurity 63?
The molecular formula of Beraprost Impurity 63 is C25H32O5.
What is the molecular weight of Beraprost Impurity 63?
The molecular weight of Beraprost Impurity 63 is 412.22 g/mol.
Where can I buy Beraprost Impurity 63?
You can request a quote for Beraprost Impurity 63 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Beraprost Impurity 63?
Yes, KEHONG BIO provides custom synthesis services for Beraprost Impurity 63 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.