6,9-Thiaprostacyclin
TL;DR: 6,9-Thiaprostacyclin (CAS 64869-13-2) is a chemical compound with molecular formula C20H32O4S and molecular weight 368.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[(3aR,4R,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]thiophen-2-ylidene]pentanoic acid
Also Known As: 6,9-Thiaprostacyclin, 6,9-Thia-pgx, PGI2-S, S-PGI2, (5Z)-6,9-thiaprostacyclin
| Molecular Formula | C20H32O4S |
|---|---|
| Molecular Weight | 368.20 g/mol |
| LogP | 4.1251 |
| Topological Polar Surface Area | 77.76 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 368.20212 |
| Heavy Atoms | 25 |
| Complexity | 488.08783 |
Chemical Identifiers
| CAS Number | 64869-13-2 |
|---|---|
| SMILES | CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1C/C(=C/CCCC(=O)O)/S2)O)O |
Product Overview
6,9-Thiaprostacyclin (CAS 64869-13-2), with molecular formula C20H32O4S and molecular weight 368.20 g/mol. IUPAC: (5Z)-5-[(3aR,4R,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]thiophen-2-ylidene]pentanoic acid.
Chemical Property Profile of 6,9-Thiaprostacyclin
Property Insights of 6,9-Thiaprostacyclin
The XLogP value of 4.1251 indicates that 6,9-Thiaprostacyclin 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 6,9-Thiaprostacyclin. Following Lipinski's Rule of Five, 6,9-Thiaprostacyclin 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 6,9-Thiaprostacyclin?
The CAS number of 6,9-Thiaprostacyclin is 64869-13-2.
What is the molecular formula of 6,9-Thiaprostacyclin?
The molecular formula of 6,9-Thiaprostacyclin is C20H32O4S.
What is the molecular weight of 6,9-Thiaprostacyclin?
The molecular weight of 6,9-Thiaprostacyclin is 368.20 g/mol.
Where can I buy 6,9-Thiaprostacyclin?
You can request a quote for 6,9-Thiaprostacyclin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,9-Thiaprostacyclin?
Yes, KEHONG BIO provides custom synthesis services for 6,9-Thiaprostacyclin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.