Diploceline
TL;DR: Diploceline (CAS 69306-89-4) is a chemical compound with molecular formula C22H29N2O3+ and molecular weight 369.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(3-ethylidene-5-methyl-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-5-ium-2-yl)-3-hydroxypropanoate
Also Known As: Diploceline, methyl 2-(3-ethylidene-5-methyl-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-5-ium-2-yl)-3-hydroxypropanoate
| Molecular Formula | C22H29N2O3+ |
|---|---|
| Molecular Weight | 369.22 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 62.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 369.2178 |
| Heavy Atoms | 27 |
| Complexity | 606.0 |
Chemical Identifiers
| CAS Number | 69306-89-4 |
|---|---|
| SMILES | CC=C1C[N+]2(CCC3=C(C2CC1C(CO)C(=O)OC)NC4=CC=CC=C34)C |
| InChIKey | MOOPNKBUQLUWAB-UHFFFAOYSA-N |
Product Overview
Diploceline (CAS 69306-89-4), with molecular formula C22H29N2O3+ and molecular weight 369.22 g/mol. IUPAC: methyl 2-(3-ethylidene-5-methyl-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-5-ium-2-yl)-3-hydroxypropanoate.
Chemical Property Profile of Diploceline
Property Insights of Diploceline
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diploceline. The TPSA of 62.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Diploceline. Following Lipinski's Rule of Five, Diploceline has 2 hydrogen bond donor(s) and 3 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 Diploceline?
The CAS number of Diploceline is 69306-89-4.
What is the molecular formula of Diploceline?
The molecular formula of Diploceline is C22H29N2O3+.
What is the molecular weight of Diploceline?
The molecular weight of Diploceline is 369.22 g/mol.
Where can I buy Diploceline?
You can request a quote for Diploceline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diploceline?
Yes, KEHONG BIO provides custom synthesis services for Diploceline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.