Pseudopterolide
TL;DR: Pseudopterolide (CAS 83560-98-9) is a chemical compound with molecular formula C21H22O6 and molecular weight 370.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S,4R,5R,11R,12R)-14-oxo-5,11-bis(prop-1-en-2-yl)-3,13,16-trioxatetracyclo[10.2.1.17,10.02,4]hexadeca-1(15),7,9-triene-8-carboxylate
Also Known As: Pseudopterolide, 3,13,16-Trioxatetracyclo(10.2.1.17,10.02,4)hexadeca-1(15),7,9-triene-8-carboxylic acid, 5,11-bis(1-methylethenyl)-14-oxo-, methyl ester, (2S-(2R*,4S*,5S*,11S*,12S*))-, 3,13,16-Trioxatetracyclo[10.2.1.17,10.02,4]hexadeca-1(15),7,9-triene-8-carboxylic acid, 5,11-bis(1-methylethenyl)-14-oxo-, methyl ester, (2R*,4S*,5S*,11S*,12S*)-, methyl (2S,4R,5R,11R,12R)-14-oxo-5,11-bis(prop-1-en-2-yl)-3,13,16-trioxatetracyclo(10.2.1.17,10.02,4)hexadeca-1(15),7,9-triene-8-carboxylate, Methyl 14-oxo-5,11-bis(prop-1-en-2-yl)-3,13,16-trioxatetracyclo[10.2.1.17,10.02,4]hexadeca-1(15),7,9-triene-8-carboxylate
| Molecular Formula | C21H22O6 |
|---|---|
| Molecular Weight | 370.14 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 78.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 370.14163 |
| Heavy Atoms | 27 |
| Complexity | 737.0 |
Chemical Identifiers
| CAS Number | 83560-98-9 |
|---|---|
| SMILES | CC(=C)[C@H]1CC2=C(C=C(O2)[C@@H]([C@H]3C=C([C@H]4[C@@H]1O4)C(=O)O3)C(=C)C)C(=O)OC |
| InChIKey | HGJODUIUVPXWLZ-ZMKKGPNFSA-N |
Product Overview
Pseudopterolide (CAS 83560-98-9), with molecular formula C21H22O6 and molecular weight 370.14 g/mol. IUPAC: methyl (2S,4R,5R,11R,12R)-14-oxo-5,11-bis(prop-1-en-2-yl)-3,13,16-trioxatetracyclo[10.2.1.17,10.02,4]hexadeca-1(15),7,9-triene-8-carboxylate.
Chemical Property Profile of Pseudopterolide
Property Insights of Pseudopterolide
The XLogP value of 3.5 indicates that Pseudopterolide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Pseudopterolide. Following Lipinski's Rule of Five, Pseudopterolide has 0 hydrogen bond donor(s) and 6 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 Pseudopterolide?
The CAS number of Pseudopterolide is 83560-98-9.
What is the molecular formula of Pseudopterolide?
The molecular formula of Pseudopterolide is C21H22O6.
What is the molecular weight of Pseudopterolide?
The molecular weight of Pseudopterolide is 370.14 g/mol.
Where can I buy Pseudopterolide?
You can request a quote for Pseudopterolide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pseudopterolide?
Yes, KEHONG BIO provides custom synthesis services for Pseudopterolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.