13,14-Dehydroprostaglandin I2
TL;DR: 13,14-Dehydroprostaglandin I2 (CAS 74853-73-9) is a chemical compound with molecular formula C20H30O5 and molecular weight 350.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[(3aR,4S,5R,6aR)-5-hydroxy-4-[(3S)-3-hydroxyoct-1-ynyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]pentanoic acid
Also Known As: 13,14-Dehydro pgx, 13,14-Dehydroprostaglandin X, 13,14-Dehydro pgi2, 13,14-Dehydro-pgi2, 13,14-Dehydroprostaglandin I2
| Molecular Formula | C20H30O5 |
|---|---|
| Molecular Weight | 350.21 g/mol |
| LogP | 2.8557 |
| Topological Polar Surface Area | 86.99 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 350.20932 |
| Heavy Atoms | 25 |
| Complexity | 529.93994 |
Chemical Identifiers
| CAS Number | 74853-73-9 |
|---|---|
| SMILES | CCCCC[C@@H](C#C[C@H]1[C@@H](C[C@@H]2[C@@H]1C/C(=C/CCCC(=O)O)/O2)O)O |
Product Overview
13,14-Dehydroprostaglandin I2 (CAS 74853-73-9), with molecular formula C20H30O5 and molecular weight 350.21 g/mol. IUPAC: (5Z)-5-[(3aR,4S,5R,6aR)-5-hydroxy-4-[(3S)-3-hydroxyoct-1-ynyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]pentanoic acid.
Chemical Property Profile of 13,14-Dehydroprostaglandin I2
Property Insights of 13,14-Dehydroprostaglandin I2
The XLogP value of 2.8557 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 13,14-Dehydroprostaglandin I2. The TPSA of 86.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 13,14-Dehydroprostaglandin I2. Following Lipinski's Rule of Five, 13,14-Dehydroprostaglandin I2 has 3 hydrogen bond donor(s) and 4 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 13,14-Dehydroprostaglandin I2?
The CAS number of 13,14-Dehydroprostaglandin I2 is 74853-73-9.
What is the molecular formula of 13,14-Dehydroprostaglandin I2?
The molecular formula of 13,14-Dehydroprostaglandin I2 is C20H30O5.
What is the molecular weight of 13,14-Dehydroprostaglandin I2?
The molecular weight of 13,14-Dehydroprostaglandin I2 is 350.21 g/mol.
Where can I buy 13,14-Dehydroprostaglandin I2?
You can request a quote for 13,14-Dehydroprostaglandin I2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 13,14-Dehydroprostaglandin I2?
Yes, KEHONG BIO provides custom synthesis services for 13,14-Dehydroprostaglandin I2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.