贝拉前列素
TL;DR: 贝拉前列素 (CAS 88430-50-6) is a chemical compound with molecular formula C24H30O5 and molecular weight 398.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
贝拉前列素
4-[2-hydroxy-1-(3-hydroxy-4-methyloct-1-en-6-ynyl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-5-yl]butanoic acid
Also Known As: beraprost, Beraprostum, BERAPROST SODIUM, Beraprost [USAN:INN], Beraprostum [INN-Latin]
| Molecular Formula | C24H30O5 |
|---|---|
| Molecular Weight | 398.21 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 398.20932 |
| Heavy Atoms | 29 |
| Complexity | 659.0 |
Chemical Identifiers
| CAS Number | 88430-50-6 |
|---|---|
| SMILES | CC#CCC(C)C(C=CC1C(CC2C1C3=CC=CC(=C3O2)CCCC(=O)O)O)O |
| InChIKey | CTPOHARTNNSRSR-UHFFFAOYSA-N |
Product Overview
贝拉前列素 (CAS 88430-50-6), with molecular formula C24H30O5 and molecular weight 398.21 g/mol. IUPAC: 4-[2-hydroxy-1-(3-hydroxy-4-methyloct-1-en-6-ynyl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-5-yl]butanoic acid.
Chemical Property Profile of 贝拉前列素
Property Insights of 贝拉前列素
The XLogP value of 3.2 indicates that 贝拉前列素 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 贝拉前列素. Following Lipinski's Rule of Five, 贝拉前列素 has 3 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 贝拉前列素?
The CAS number of 贝拉前列素 is 88430-50-6.
What is the molecular formula of 贝拉前列素?
The molecular formula of 贝拉前列素 is C24H30O5.
What is the molecular weight of 贝拉前列素?
The molecular weight of 贝拉前列素 is 398.21 g/mol.
Where can I buy 贝拉前列素?
You can request a quote for 贝拉前列素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 贝拉前列素?
Yes, KEHONG BIO provides custom synthesis services for 贝拉前列素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.