Punaglandin 1
TL;DR: Punaglandin 1 (CAS 96055-63-9) is a chemical compound with molecular formula C27H37ClO10 and molecular weight 556.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (5S,6R,7R)-5,6,7-triacetyloxy-7-[(1R,2S)-4-chloro-2-hydroxy-2-[(2Z,5Z)-octa-2,5-dienyl]-5-oxocyclopent-3-en-1-yl]heptanoate
Also Known As: punaglandin 1, (+)-Punaglandin 1, methyl (5S,6R,7R)-5,6,7-triacetyloxy-7-[(1R,2S)-4-chloro-2-hydroxy-2-[(2Z,5Z)-octa-2,5-dienyl]-5-oxocyclopent-3-en-1-yl]heptanoate, methyl 5S,6R,7R-triacetoxy-9-oxo-10-chloro-12S-hydroxy-10Z,14Z,17Z-prostatrienoate-cyclo[8R,12S], (5S,6R,7R,14Z,17Z)-5,6,7-Triacetoxy-10-chloro-12-hydroxy-9-oxoprosta-10,14,17-trien-1-oic acid methyl ester
| Molecular Formula | C27H37ClO10 |
|---|---|
| Molecular Weight | 556.21 g/mol |
| LogP | 3.4801 |
| Topological Polar Surface Area | 142.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 15 |
| Exact Mass | 556.2075 |
| Heavy Atoms | 38 |
| Complexity | 953.505 |
Chemical Identifiers
| CAS Number | 96055-63-9 |
|---|---|
| SMILES | CC/C=C\C/C=C\C[C@]1(C=C(C(=O)[C@@H]1[C@H]([C@@H]([C@H](CCCC(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C)Cl)O |
Product Overview
Punaglandin 1 (CAS 96055-63-9), with molecular formula C27H37ClO10 and molecular weight 556.21 g/mol. IUPAC: methyl (5S,6R,7R)-5,6,7-triacetyloxy-7-[(1R,2S)-4-chloro-2-hydroxy-2-[(2Z,5Z)-octa-2,5-dienyl]-5-oxocyclopent-3-en-1-yl]heptanoate.
Chemical Property Profile of Punaglandin 1
Property Insights of Punaglandin 1
The XLogP value of 3.4801 indicates that Punaglandin 1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 142.5 Ų indicates high polarity, suggesting Punaglandin 1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Punaglandin 1 has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Punaglandin 1?
The CAS number of Punaglandin 1 is 96055-63-9.
What is the molecular formula of Punaglandin 1?
The molecular formula of Punaglandin 1 is C27H37ClO10.
What is the molecular weight of Punaglandin 1?
The molecular weight of Punaglandin 1 is 556.21 g/mol.
Where can I buy Punaglandin 1?
You can request a quote for Punaglandin 1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Punaglandin 1?
Yes, KEHONG BIO provides custom synthesis services for Punaglandin 1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.