15-Keto-pgi2
TL;DR: 15-Keto-pgi2 (CAS 100311-07-7) 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.
5-[(3aR,4R,5R,6aS)-5-hydroxy-4-(3-oxooct-1-enyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]pentanoic acid
Also Known As: 15-Keto-pgi2, 15-Ketoprostaglandin I2, Prosta-5,13-dien-1-oicacid, 6,9-epoxy-11-hydroxy-15-oxo-, (5Z,9a,11a,13E)- (9CI), 5-[(3aR,4R,5R,6aS)-5-hydroxy-4-(3-oxooct-1-enyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]pentanoic acid
| Molecular Formula | C20H30O5 |
|---|---|
| Molecular Weight | 350.21 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 350.20932 |
| Heavy Atoms | 25 |
| Complexity | 522.0 |
Chemical Identifiers
| CAS Number | 100311-07-7 |
|---|---|
| SMILES | CCCCCC(=O)C=C[C@H]1[C@@H](C[C@H]2[C@@H]1CC(=CCCCC(=O)O)O2)O |
| InChIKey | YCLHGWBUIYKBPM-MKXGPGLRSA-N |
Product Overview
15-Keto-pgi2 (CAS 100311-07-7), with molecular formula C20H30O5 and molecular weight 350.21 g/mol. IUPAC: 5-[(3aR,4R,5R,6aS)-5-hydroxy-4-(3-oxooct-1-enyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]pentanoic acid.
Chemical Property Profile of 15-Keto-pgi2
Property Insights of 15-Keto-pgi2
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 15-Keto-pgi2. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 15-Keto-pgi2. Following Lipinski's Rule of Five, 15-Keto-pgi2 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 15-Keto-pgi2?
The CAS number of 15-Keto-pgi2 is 100311-07-7.
What is the molecular formula of 15-Keto-pgi2?
The molecular formula of 15-Keto-pgi2 is C20H30O5.
What is the molecular weight of 15-Keto-pgi2?
The molecular weight of 15-Keto-pgi2 is 350.21 g/mol.
Where can I buy 15-Keto-pgi2?
You can request a quote for 15-Keto-pgi2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 15-Keto-pgi2?
Yes, KEHONG BIO provides custom synthesis services for 15-Keto-pgi2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.