Parsonsine
TL;DR: Parsonsine (CAS 72213-98-0) is a chemical compound with molecular formula C22H33NO8 and molecular weight 439.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,9-dihydroxy-8-methyl-4,9-di(propan-2-yl)-2,7,11-trioxa-16-azatricyclo[11.5.1.016,19]nonadec-13-ene-3,6,10-trione
Also Known As: Parsonsine, Substance P (1-7)
| Molecular Formula | C22H33NO8 |
|---|---|
| Molecular Weight | 439.22 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 439.2206 |
| Heavy Atoms | 31 |
| Complexity | 777.0 |
Chemical Identifiers
| CAS Number | 72213-98-0 |
|---|---|
| SMILES | CC1C(C(=O)OCC2=CCN3C2C(CC3)OC(=O)C(CC(=O)O1)(C(C)C)O)(C(C)C)O |
| InChIKey | MPPSDVYCCOJJIB-UHFFFAOYSA-N |
Product Overview
Parsonsine (CAS 72213-98-0), with molecular formula C22H33NO8 and molecular weight 439.22 g/mol. IUPAC: 4,9-dihydroxy-8-methyl-4,9-di(propan-2-yl)-2,7,11-trioxa-16-azatricyclo[11.5.1.016,19]nonadec-13-ene-3,6,10-trione.
Chemical Property Profile of Parsonsine
Property Insights of Parsonsine
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Parsonsine. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Parsonsine. Following Lipinski's Rule of Five, Parsonsine has 2 hydrogen bond donor(s) and 9 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 Parsonsine?
The CAS number of Parsonsine is 72213-98-0.
What is the molecular formula of Parsonsine?
The molecular formula of Parsonsine is C22H33NO8.
What is the molecular weight of Parsonsine?
The molecular weight of Parsonsine is 439.22 g/mol.
Where can I buy Parsonsine?
You can request a quote for Parsonsine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Parsonsine?
Yes, KEHONG BIO provides custom synthesis services for Parsonsine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.