Cromoglicate lisetil
TL;DR: Cromoglicate lisetil (CAS 110816-79-0) is a chemical compound with molecular formula C33H36N2O12 and molecular weight 652.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-[2-[(2S)-2,6-diaminohexanoyl]oxy-3-(2-ethoxycarbonyl-4-oxochromen-5-yl)oxypropoxy]-4-oxochromene-2-carboxylate
Also Known As: Cromoglicate lisetil, Cromoglicato lisetilo, Cromoglicate etilisate, Cromoglicate lisetil [INN], Cromoglicate lisetil (INN)
| Molecular Formula | C33H36N2O12 |
|---|---|
| Molecular Weight | 652.23 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 202.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 19 |
| Exact Mass | 652.2268 |
| Heavy Atoms | 47 |
| Complexity | 1130.0 |
Chemical Identifiers
| CAS Number | 110816-79-0 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=O)C2=C(O1)C=CC=C2OCC(COC3=CC=CC4=C3C(=O)C=C(O4)C(=O)OCC)OC(=O)[C@H](CCCCN)N |
| InChIKey | NGJJDHCBOKNREV-FQEVSTJZSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cromoglicate lisetil (CAS 110816-79-0), with molecular formula C33H36N2O12 and molecular weight 652.23 g/mol. IUPAC: ethyl 5-[2-[(2S)-2,6-diaminohexanoyl]oxy-3-(2-ethoxycarbonyl-4-oxochromen-5-yl)oxypropoxy]-4-oxochromene-2-carboxylate.
Chemical Property Profile of Cromoglicate lisetil
Property Insights of Cromoglicate lisetil
The XLogP value of 3.1 indicates that Cromoglicate lisetil is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 202.0 Ų indicates high polarity, suggesting Cromoglicate lisetil may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cromoglicate lisetil has 2 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cromoglicate lisetil?
The CAS number of Cromoglicate lisetil is 110816-79-0.
What is the molecular formula of Cromoglicate lisetil?
The molecular formula of Cromoglicate lisetil is C33H36N2O12.
What is the molecular weight of Cromoglicate lisetil?
The molecular weight of Cromoglicate lisetil is 652.23 g/mol.
Where can I buy Cromoglicate lisetil?
You can request a quote for Cromoglicate lisetil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cromoglicate lisetil?
Yes, KEHONG BIO provides custom synthesis services for Cromoglicate lisetil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.