6a-Carbaprostaglandin I3
TL;DR: 6a-Carbaprostaglandin I3 (CAS 96244-85-8) is a chemical compound with molecular formula C21H32O4 and molecular weight 348.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[(3aS,4R,5R,6aS)-5-hydroxy-4-[(1E,3S,5E)-3-hydroxyocta-1,5-dienyl]-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanoic acid
Also Known As: Carba-pgi3, 6a-Carbaprostaglandin I3, (5Z)-5-[(3aS,4R,5R,6aS)-5-hydroxy-4-[(1E,3S,5E)-3-hydroxyocta-1,5-dienyl]-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanoic acid, RefChem:105306
| Molecular Formula | C21H32O4 |
|---|---|
| Molecular Weight | 348.23 g/mol |
| LogP | 3.8481 |
| Topological Polar Surface Area | 77.76 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 348.23007 |
| Heavy Atoms | 25 |
| Complexity | 519.9891 |
Chemical Identifiers
| CAS Number | 96244-85-8 |
|---|---|
| SMILES | CC/C=C/C[C@@H](/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1C/C(=C\CCCC(=O)O)/C2)O)O |
Product Overview
6a-Carbaprostaglandin I3 (CAS 96244-85-8), with molecular formula C21H32O4 and molecular weight 348.23 g/mol. IUPAC: (5Z)-5-[(3aS,4R,5R,6aS)-5-hydroxy-4-[(1E,3S,5E)-3-hydroxyocta-1,5-dienyl]-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanoic acid.
Chemical Property Profile of 6a-Carbaprostaglandin I3
Property Insights of 6a-Carbaprostaglandin I3
The XLogP value of 3.8481 indicates that 6a-Carbaprostaglandin I3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 6a-Carbaprostaglandin I3. Following Lipinski's Rule of Five, 6a-Carbaprostaglandin I3 has 3 hydrogen bond donor(s) and 3 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 6a-Carbaprostaglandin I3?
The CAS number of 6a-Carbaprostaglandin I3 is 96244-85-8.
What is the molecular formula of 6a-Carbaprostaglandin I3?
The molecular formula of 6a-Carbaprostaglandin I3 is C21H32O4.
What is the molecular weight of 6a-Carbaprostaglandin I3?
The molecular weight of 6a-Carbaprostaglandin I3 is 348.23 g/mol.
Where can I buy 6a-Carbaprostaglandin I3?
You can request a quote for 6a-Carbaprostaglandin I3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6a-Carbaprostaglandin I3?
Yes, KEHONG BIO provides custom synthesis services for 6a-Carbaprostaglandin I3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.