Nomilin
TL;DR: Nomilin (CAS 1063-77-0) is a chemical compound with molecular formula C28H34O9 and molecular weight 514.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,2R,4S,7S,8S,11R,12R,13S,18R)-7-(furan-3-yl)-1,8,12,17,17-pentamethyl-5,15,20-trioxo-3,6,16-trioxapentacyclo[9.9.0.02,4.02,8.012,18]icosan-13-yl] acetate
Also Known As: Nomilin, fromcitrusseeds, Limonoid, Nomilin (Standard), Nomilin (~85%)
| Molecular Formula | C28H34O9 |
|---|---|
| Molecular Weight | 514.22 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 514.2203 |
| Heavy Atoms | 37 |
| Complexity | 1080.0 |
Chemical Identifiers
| CAS Number | 1063-77-0 |
|---|---|
| SMILES | CC(=O)O[C@H]1CC(=O)OC([C@H]2[C@]1([C@H]3CC[C@]4([C@@H](OC(=O)[C@@H]5[C@@]4([C@@]3(C(=O)C2)C)O5)C6=COC=C6)C)C)(C)C |
| InChIKey | KPDOJFFZKAUIOE-WNGDLQANSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Nomilin (CAS 1063-77-0), with molecular formula C28H34O9 and molecular weight 514.22 g/mol. IUPAC: [(1R,2R,4S,7S,8S,11R,12R,13S,18R)-7-(furan-3-yl)-1,8,12,17,17-pentamethyl-5,15,20-trioxo-3,6,16-trioxapentacyclo[9.9.0.02,4.02,8.012,18]icosan-13-yl] acetate.
Chemical Property Profile of Nomilin
Property Insights of Nomilin
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nomilin. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Nomilin. Following Lipinski's Rule of Five, Nomilin has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Nomilin?
The CAS number of Nomilin is 1063-77-0.
What is the molecular formula of Nomilin?
The molecular formula of Nomilin is C28H34O9.
What is the molecular weight of Nomilin?
The molecular weight of Nomilin is 514.22 g/mol.
Where can I buy Nomilin?
You can request a quote for Nomilin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nomilin?
Yes, KEHONG BIO provides custom synthesis services for Nomilin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.