di-Calciphor
TL;DR: di-Calciphor (CAS 135608-06-9) is a chemical compound with molecular formula C44H68O8 and molecular weight 724.49 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[2-[2-[3-(6-carboxyhexyl)-4-[(E)-4,4-dimethyl-3-oxooct-1-enyl]-2-oxocyclopent-3-en-1-yl]-4,4-dimethyl-3-oxooctyl]-5-oxocyclopenten-1-yl]heptanoic acid
Also Known As: di-Calciphor, Dicalciphor, 16,16'-Dimethyl prostaglandin B1 dimer, 1-Cyclopentene-1-heptanoic acid, 4-(1-((2-(6-carboxyhexyl)-3-oxo-1-cyclopenten-1-yl)methyl)-3,3-dimethyl-2-oxoheptyl)-2-(4,4-dimethyl-3-oxo-1-octenyl)-5-oxo-, 7-[2-[2-[3-(6-carboxyhexyl)-4-[(E)-4,4-dimethyl-3-oxooct-1-enyl]-2-oxocyclopent-3-en-1-yl]-4,4-dimethyl-3-oxooctyl]-5-oxocyclopenten-1-yl]heptanoic acid
| Molecular Formula | C44H68O8 |
|---|---|
| Molecular Weight | 724.49 g/mol |
| LogP | 10.5154 |
| Topological Polar Surface Area | 142.88 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 28 |
| Exact Mass | 724.4914 |
| Heavy Atoms | 52 |
| Complexity | 1357.627 |
Chemical Identifiers
| CAS Number | 135608-06-9 |
|---|---|
| SMILES | CCCCC(C)(C)C(=O)/C=C/C1=C(C(=O)C(C1)C(CC2=C(C(=O)CC2)CCCCCCC(=O)O)C(=O)C(C)(C)CCCC)CCCCCCC(=O)O |
Product Overview
di-Calciphor (CAS 135608-06-9), with molecular formula C44H68O8 and molecular weight 724.49 g/mol. IUPAC: 7-[2-[2-[3-(6-carboxyhexyl)-4-[(E)-4,4-dimethyl-3-oxooct-1-enyl]-2-oxocyclopent-3-en-1-yl]-4,4-dimethyl-3-oxooctyl]-5-oxocyclopenten-1-yl]heptanoic acid.
Chemical Property Profile of di-Calciphor
Property Insights of di-Calciphor
The XLogP value of 10.5154 indicates that di-Calciphor is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 142.88 Ų indicates high polarity, suggesting di-Calciphor may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, di-Calciphor has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of di-Calciphor?
The CAS number of di-Calciphor is 135608-06-9.
What is the molecular formula of di-Calciphor?
The molecular formula of di-Calciphor is C44H68O8.
What is the molecular weight of di-Calciphor?
The molecular weight of di-Calciphor is 724.49 g/mol.
Where can I buy di-Calciphor?
You can request a quote for di-Calciphor directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for di-Calciphor?
Yes, KEHONG BIO provides custom synthesis services for di-Calciphor and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.