Diethyl cromoglycate
TL;DR: Diethyl cromoglycate (CAS 16150-45-1) is a chemical compound with molecular formula C27H24O11 and molecular weight 524.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-[3-(2-ethoxycarbonyl-4-oxochromen-5-yl)oxy-2-hydroxypropoxy]-4-oxochromene-2-carboxylate
Also Known As: Diethyl cromoglycate, Cromophene, Iofendylate, Cromoglycic acid diethyl ester, Cromolyn Related Compound B
| Molecular Formula | C27H24O11 |
|---|---|
| Molecular Weight | 524.13 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 144.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 12 |
| Exact Mass | 524.13184 |
| Heavy Atoms | 38 |
| Complexity | 894.0 |
Chemical Identifiers
| CAS Number | 16150-45-1 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=O)C2=C(O1)C=CC=C2OCC(COC3=CC=CC4=C3C(=O)C=C(O4)C(=O)OCC)O |
| InChIKey | KRBBSLDXYDBFEC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl cromoglycate (CAS 16150-45-1), with molecular formula C27H24O11 and molecular weight 524.13 g/mol. IUPAC: ethyl 5-[3-(2-ethoxycarbonyl-4-oxochromen-5-yl)oxy-2-hydroxypropoxy]-4-oxochromene-2-carboxylate.
Chemical Property Profile of Diethyl cromoglycate
Property Insights of Diethyl cromoglycate
The XLogP value of 3.3 indicates that Diethyl cromoglycate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 144.0 Ų indicates high polarity, suggesting Diethyl cromoglycate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Diethyl cromoglycate has 1 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Diethyl cromoglycate?
The CAS number of Diethyl cromoglycate is 16150-45-1.
What is the molecular formula of Diethyl cromoglycate?
The molecular formula of Diethyl cromoglycate is C27H24O11.
What is the molecular weight of Diethyl cromoglycate?
The molecular weight of Diethyl cromoglycate is 524.13 g/mol.
Where can I buy Diethyl cromoglycate?
You can request a quote for Diethyl cromoglycate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl cromoglycate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl cromoglycate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.