Ciprostene (calcium salt)
TL;DR: Ciprostene (calcium salt) (CAS 81703-55-1) is a chemical compound with molecular formula C44H70CaO8 and molecular weight 766.47 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium bis(5-[(3aS,4S,5S,6aR)-5-hydroxy-4-[(3R)-3-hydroxyoct-1-enyl]-6a-methyl-1,3,3a,4,5,6-hexahydropentalen-2-ylidene]pentanoate)
Also Known As: Ciprostene (calcium salt)
| Molecular Formula | C44H70CaO8 |
|---|---|
| Molecular Weight | 766.47 g/mol |
| LogP | 5.87 |
| Topological Polar Surface Area | 161.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 18 |
| Exact Mass | 766.46967 |
| Heavy Atoms | 53 |
| Complexity | 519.0 |
Chemical Identifiers
| CAS Number | 81703-55-1 |
|---|---|
| SMILES | CCCCC[C@H](C=C[C@H]1[C@@H]2CC(=CCCCC(=O)[O-])C[C@@]2(C[C@@H]1O)C)O.CCCCC[C@H](C=C[C@H]1[C@@H]2CC(=CCCCC(=O)[O-])C[C@@]2(C[C@@H]1O)C)O.[Ca+2] |
| InChIKey | NJTMVDAFPIEZAJ-BLLBXVCWSA-L |
Product Overview
Ciprostene (calcium salt) (CAS 81703-55-1), with molecular formula C44H70CaO8 and molecular weight 766.47 g/mol. IUPAC: calcium bis(5-[(3aS,4S,5S,6aR)-5-hydroxy-4-[(3R)-3-hydroxyoct-1-enyl]-6a-methyl-1,3,3a,4,5,6-hexahydropentalen-2-ylidene]pentanoate).
Chemical Property Profile of Ciprostene (calcium salt)
Property Insights of Ciprostene (calcium salt)
The XLogP value of 5.87 indicates that Ciprostene (calcium salt) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 161.0 Ų indicates high polarity, suggesting Ciprostene (calcium salt) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ciprostene (calcium salt) has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ciprostene (calcium salt)?
The CAS number of Ciprostene (calcium salt) is 81703-55-1.
What is the molecular formula of Ciprostene (calcium salt)?
The molecular formula of Ciprostene (calcium salt) is C44H70CaO8.
What is the molecular weight of Ciprostene (calcium salt)?
The molecular weight of Ciprostene (calcium salt) is 766.47 g/mol.
Where can I buy Ciprostene (calcium salt)?
You can request a quote for Ciprostene (calcium salt) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ciprostene (calcium salt)?
Yes, KEHONG BIO provides custom synthesis services for Ciprostene (calcium salt) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.