Carboprostacyclin
TL;DR: Carboprostacyclin (CAS 69609-77-4) is a chemical compound with molecular formula C21H34O4 and molecular weight 350.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[(3aS,4R,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanoic acid
Also Known As: carbacyclin, Carboprostacyclin, Carbaprostacyclin, Carba pgx, Carbacycline
| Molecular Formula | C21H34O4 |
|---|---|
| Molecular Weight | 350.25 g/mol |
| LogP | 4.0721 |
| Topological Polar Surface Area | 77.76 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 350.2457 |
| Heavy Atoms | 25 |
| Complexity | 482.28772 |
Chemical Identifiers
| CAS Number | 69609-77-4 |
|---|---|
| SMILES | CCCCC[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
Carboprostacyclin (CAS 69609-77-4), with molecular formula C21H34O4 and molecular weight 350.25 g/mol. IUPAC: (5E)-5-[(3aS,4R,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanoic acid.
Chemical Property Profile of Carboprostacyclin
Property Insights of Carboprostacyclin
The XLogP value of 4.0721 indicates that Carboprostacyclin 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 Carboprostacyclin. Following Lipinski's Rule of Five, Carboprostacyclin 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 Carboprostacyclin?
The CAS number of Carboprostacyclin is 69609-77-4.
What is the molecular formula of Carboprostacyclin?
The molecular formula of Carboprostacyclin is C21H34O4.
What is the molecular weight of Carboprostacyclin?
The molecular weight of Carboprostacyclin is 350.25 g/mol.
Where can I buy Carboprostacyclin?
You can request a quote for Carboprostacyclin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carboprostacyclin?
Yes, KEHONG BIO provides custom synthesis services for Carboprostacyclin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.