Spiraline
TL;DR: Spiraline (CAS 77156-25-3) is a chemical compound with molecular formula C22H33NO9 and molecular weight 455.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,4R,5R,8R,9S,19R)-4,5,9-trihydroxy-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: Spiraline, (16R)-16-Hydroxyparsonsine, Substance P (6-11), pglu(6)-N-meleu(10)-, 7H-(1,5,10)Trioxacyclotetradecino(7,8,9-gh)pyrrolizine-2,5,9(8H)-trione,3,4,11,13,15,16,16a,16b-octahydro-3,4,8-trihydroxy-7-methyl-3,8-bis(1-methylethyl)-, (16aR,16bR)-, (1R,4R,5R,8R,9S,19R)-4,5,9-trihydroxy-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
| Molecular Formula | C22H33NO9 |
|---|---|
| Molecular Weight | 455.22 g/mol |
| LogP | -0.4639 |
| Topological Polar Surface Area | 142.83 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 2 |
| Exact Mass | 455.21555 |
| Heavy Atoms | 32 |
| Complexity | 809.2232 |
Chemical Identifiers
| CAS Number | 77156-25-3 |
|---|---|
| SMILES | C[C@@H]1[C@](C(=O)OCC2=CCN3[C@H]2[C@@H](CC3)OC(=O)[C@]([C@H](C(=O)O1)O)(C(C)C)O)(C(C)C)O |
Product Overview
Spiraline (CAS 77156-25-3), with molecular formula C22H33NO9 and molecular weight 455.22 g/mol. IUPAC: (1R,4R,5R,8R,9S,19R)-4,5,9-trihydroxy-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 Spiraline
Property Insights of Spiraline
The XLogP value of -0.4639 indicates that Spiraline is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 142.83 Ų indicates high polarity, suggesting Spiraline may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Spiraline has 3 hydrogen bond donor(s) and 10 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 Spiraline?
The CAS number of Spiraline is 77156-25-3.
What is the molecular formula of Spiraline?
The molecular formula of Spiraline is C22H33NO9.
What is the molecular weight of Spiraline?
The molecular weight of Spiraline is 455.22 g/mol.
Where can I buy Spiraline?
You can request a quote for Spiraline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Spiraline?
Yes, KEHONG BIO provides custom synthesis services for Spiraline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.