Pyrodelphinine
TL;DR: Pyrodelphinine (CAS 60050-12-6) is a chemical compound with molecular formula C31H41NO7 and molecular weight 539.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadec-7-en-4-yl] benzoate
Also Known As: PYRODELPHININE, Pyrodelphonine 14-benzoate, 13-Hydroxy-1,6,16-trimethoxy-4-(methoxymethyl)-20-methylaconit-8(15)-en-14-yl benzoate, [hydroxy-trimethoxy-(methoxymethyl)-methyl-[?]yl] benzoate, Aconitane-13, 8,15-didehydro-1,6,16-trimethoxy-4-(methoxymethyl)-20-methyl-, 14-benzoate, (1.alpha.,6.alpha.,14.alpha.,16.beta.)-
| Molecular Formula | C31H41NO7 |
|---|---|
| Molecular Weight | 539.29 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 86.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 539.2883 |
| Heavy Atoms | 39 |
| Complexity | 1030.0 |
Chemical Identifiers
| CAS Number | 60050-12-6 |
|---|---|
| SMILES | CN1CC2(CCC(C34C2C(C(C31)C5=CC(C6(CC4C5C6OC(=O)C7=CC=CC=C7)O)OC)OC)OC)COC |
| InChIKey | LFJVGOYFLDASBE-UHFFFAOYSA-N |
Product Overview
Pyrodelphinine (CAS 60050-12-6), with molecular formula C31H41NO7 and molecular weight 539.29 g/mol. IUPAC: [5-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadec-7-en-4-yl] benzoate.
Chemical Property Profile of Pyrodelphinine
Property Insights of Pyrodelphinine
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrodelphinine. The TPSA of 86.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrodelphinine. Following Lipinski's Rule of Five, Pyrodelphinine has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pyrodelphinine?
The CAS number of Pyrodelphinine is 60050-12-6.
What is the molecular formula of Pyrodelphinine?
The molecular formula of Pyrodelphinine is C31H41NO7.
What is the molecular weight of Pyrodelphinine?
The molecular weight of Pyrodelphinine is 539.29 g/mol.
Where can I buy Pyrodelphinine?
You can request a quote for Pyrodelphinine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrodelphinine?
Yes, KEHONG BIO provides custom synthesis services for Pyrodelphinine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.