Lochnericin
TL;DR: Lochnericin (CAS 72058-36-7) is a chemical compound with molecular formula C21H24N2O3 and molecular weight 352.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 12-ethyl-14-oxa-8,17-diazahexacyclo[10.7.1.01,9.02,7.013,15.017,20]icosa-2,4,6,9-tetraene-10-carboxylate
Also Known As: Lochnericine, Lochnericin, Pachysiphine, (-)-Pachysiphine, (5alpha,12R,19alpha)-2,3-Didehydro-6alpha,7alpha-epoxyaspidospermidine-3-carboxylic acid methyl ester
| Molecular Formula | C21H24N2O3 |
|---|---|
| Molecular Weight | 352.18 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 54.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 352.17868 |
| Heavy Atoms | 26 |
| Complexity | 705.0 |
Chemical Identifiers
| CAS Number | 72058-36-7 |
|---|---|
| SMILES | CCC12CC(=C3C4(C1N(CC4)CC5C2O5)C6=CC=CC=C6N3)C(=O)OC |
| InChIKey | AUVZFRDLRJQTQF-UHFFFAOYSA-N |
Product Overview
Lochnericin (CAS 72058-36-7), with molecular formula C21H24N2O3 and molecular weight 352.18 g/mol. IUPAC: methyl 12-ethyl-14-oxa-8,17-diazahexacyclo[10.7.1.01,9.02,7.013,15.017,20]icosa-2,4,6,9-tetraene-10-carboxylate.
Chemical Property Profile of Lochnericin
Property Insights of Lochnericin
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Lochnericin. With a topological polar surface area (TPSA) of 54.1 Ų, Lochnericin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Lochnericin has 1 hydrogen bond donor(s) and 5 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 Lochnericin?
The CAS number of Lochnericin is 72058-36-7.
What is the molecular formula of Lochnericin?
The molecular formula of Lochnericin is C21H24N2O3.
What is the molecular weight of Lochnericin?
The molecular weight of Lochnericin is 352.18 g/mol.
Where can I buy Lochnericin?
You can request a quote for Lochnericin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Lochnericin?
Yes, KEHONG BIO provides custom synthesis services for Lochnericin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.