13,14-Dehydroprostaglandin I2 methyl ester
TL;DR: 13,14-Dehydroprostaglandin I2 methyl ester (CAS 64079-44-3) is a chemical compound with molecular formula C21H32O5 and molecular weight 364.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (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]pentanoate
Also Known As: Methyl 13,14-dehydro pgx, Methyl 13,14-dehydro pgi2, 13,14-Dehydro pgi2 methyl ester, 13,14-Dehydro-pgi2 methyl ester, 13,14-Dehydro pgx methyl ester
| Molecular Formula | C21H32O5 |
|---|---|
| Molecular Weight | 364.22 g/mol |
| LogP | 2.9441 |
| Topological Polar Surface Area | 75.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 364.22498 |
| Heavy Atoms | 26 |
| Complexity | 544.34 |
Chemical Identifiers
| CAS Number | 64079-44-3 |
|---|---|
| SMILES | CCCCC[C@@H](C#C[C@H]1[C@@H](C[C@@H]2[C@@H]1C/C(=C/CCCC(=O)OC)/O2)O)O |
Product Overview
13,14-Dehydroprostaglandin I2 methyl ester (CAS 64079-44-3), with molecular formula C21H32O5 and molecular weight 364.22 g/mol. IUPAC: methyl (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]pentanoate.
Chemical Property Profile of 13,14-Dehydroprostaglandin I2 methyl ester
Property Insights of 13,14-Dehydroprostaglandin I2 methyl ester
The XLogP value of 2.9441 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 13,14-Dehydroprostaglandin I2 methyl ester. The TPSA of 75.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 13,14-Dehydroprostaglandin I2 methyl ester. Following Lipinski's Rule of Five, 13,14-Dehydroprostaglandin I2 methyl ester 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 13,14-Dehydroprostaglandin I2 methyl ester?
The CAS number of 13,14-Dehydroprostaglandin I2 methyl ester is 64079-44-3.
What is the molecular formula of 13,14-Dehydroprostaglandin I2 methyl ester?
The molecular formula of 13,14-Dehydroprostaglandin I2 methyl ester is C21H32O5.
What is the molecular weight of 13,14-Dehydroprostaglandin I2 methyl ester?
The molecular weight of 13,14-Dehydroprostaglandin I2 methyl ester is 364.22 g/mol.
Where can I buy 13,14-Dehydroprostaglandin I2 methyl ester?
You can request a quote for 13,14-Dehydroprostaglandin I2 methyl ester 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 methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 13,14-Dehydroprostaglandin I2 methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.