Dispegatrine
TL;DR: Dispegatrine (CAS 102488-56-2) is a chemical compound with molecular formula C40H48N4O4+2 and molecular weight 648.36755 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
15-ethylidene-8-[15-ethylidene-7-hydroxy-13-(hydroxymethyl)-17-methyl-3-aza-17-azoniapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4(9),5,7-tetraen-8-yl]-13-(hydroxymethyl)-17-methyl-3-aza-17-azoniapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4(9),5,7-tetraen-7-ol
Also Known As: Dispegatrine, 10,10a(2),17,17a(2)-Tetrahydroxy-4,4a(2)-dimethyl-9,9a(2)-bisarpaganium, 9-(10,17-Dihydroxy-4-methylsarpagan-4-ium-9-yl)-10,17-dihydroxy-4-methylsarpagan-4-ium, (15E)-15-ethylidene-8-[(15E)-15-ethylidene-7-hydroxy-13-(hydroxymethyl)-17-methyl-3-aza-17-azoniapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4(9),5,7-tetraen-8-yl]-13-(hydroxymethyl)-17-methyl-3-aza-17-azoniapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4(9),5,7-tetraen-7-ol
Technical Specifications
| Molecular Formula | C40H48N4O4+2 |
| Molecular Weight | 648.36755 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 113.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 648.36755 Da |
| Heavy Atoms | 48 |
| Complexity | 1290.0 |
| SMILES | CC=C1C[N+]2(C3CC1C(C2CC4=C3NC5=C4C(=C(C=C5)O)C6=C(C=CC7=C6C8=C(N7)C9CC1C(C(C8)[N+]9(CC1=CC)C)CO)O)CO)C |
| InChIKey | ZYQNRMXWHKJVLH-UHFFFAOYSA-P |
Chemical Property Profile of Dispegatrine
Property Insights of Dispegatrine
The XLogP value of 3.2 indicates that Dispegatrine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Dispegatrine. Following Lipinski's Rule of Five, Dispegatrine has 6 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Dispegatrine?
The CAS number of Dispegatrine is 102488-56-2.
What is the molecular formula of Dispegatrine?
The molecular formula of Dispegatrine is C40H48N4O4+2.
What is the molecular weight of Dispegatrine?
The molecular weight of Dispegatrine is 648.36755 g/mol.
Where can I buy Dispegatrine?
You can request a quote for Dispegatrine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Dispegatrine?
Yes, CoreyChem provides custom synthesis services for Dispegatrine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.