Serpentinine
TL;DR: Serpentinine (CAS 36519-42-3) is a chemical compound with molecular formula C42H45N4O5+ and molecular weight 685.339 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 11-[2-(3-ethylidene-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-yl)-3-methoxy-3-oxopropyl]-16-methyl-17-oxa-3-aza-13-azoniapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,18-heptaene-19-carboxylate
Also Known As: Serpentinine, 11-{2-[(3E)-3-ethylidene-1H,2H,4H,6H,7H,12H,12bH-indolo[2,3-a]quinolizin-2-yl]-3-methoxy-3-oxopropyl}-19-(methoxycarbonyl)-16-methyl-17-oxa-3,13??-diazapentacyclo[11.8.0.0(2),(1)?.0?,?.0(1)?,(2)?]henicosa-1(13),2(10),4(9),5,7,11,18-heptaen-13-ylium, 3,5,6,16,17-Pentadehydro-6-[(16S,19E)-19,20-didehydro-16-(methoxycarbonyl)corynan-17-yl]-16-methoxycarbonyl-19, A-methyl-18-oxayohimban-4-ium, methyl 11-[2-[(3E)-3-ethylidene-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-yl]-3-methoxy-3-oxopropyl]-16-methyl-17-oxa-3-aza-13-azoniapentacyclo[11.8.0.0^{2,10.0^{4,9.0^{15,20]henicosa-1(13),2(10),4,6,8,11,18-heptaene-19-carboxylate
Technical Specifications
| Molecular Formula | C42H45N4O5+ |
| Molecular Weight | 685.339 g/mol |
| XLogP | 5.6 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 685.339 Da |
| Heavy Atoms | 51 |
| Complexity | 1400.0 |
| SMILES | CC=C1CN2CCC3=C(C2CC1C(CC4=C[N+]5=C(CC6C(C5)C(OC=C6C(=O)OC)C)C7=C4C8=CC=CC=C8N7)C(=O)OC)NC9=CC=CC=C39 |
| InChIKey | QWAUBSSAJRGKPX-UHFFFAOYSA-O |
Chemical Property Profile of Serpentinine
Property Insights of Serpentinine
The XLogP value of 5.6 indicates that Serpentinine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Serpentinine. Following Lipinski's Rule of Five, Serpentinine has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Serpentinine?
The CAS number of Serpentinine is 36519-42-3.
What is the molecular formula of Serpentinine?
The molecular formula of Serpentinine is C42H45N4O5+.
What is the molecular weight of Serpentinine?
The molecular weight of Serpentinine is 685.339 g/mol.
Where can I buy Serpentinine?
You can request a quote for Serpentinine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Serpentinine?
Yes, CoreyChem provides custom synthesis services for Serpentinine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.