色甘酸
TL;DR: 色甘酸 (CAS 16110-51-3) is a chemical compound with molecular formula C23H16O11 and molecular weight 468.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
色甘酸
5-[3-(2-carboxy-4-oxochromen-5-yl)oxy-2-hydroxypropoxy]-4-oxochromene-2-carboxylic acid
Also Known As: cromolyn, Cromoglicic acid, Cromoglycic acid, Cromoglycate, Cromoglicate
| Molecular Formula | C23H16O11 |
|---|---|
| Molecular Weight | 468.07 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 166.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 468.06927 |
| Heavy Atoms | 34 |
| Complexity | 835.0 |
| Melting Point | 241 |
| Solubility | 210 |
Chemical Identifiers
| CAS Number | 16110-51-3 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)OCC(COC3=CC=CC4=C3C(=O)C=C(O4)C(=O)O)O)C(=O)C=C(O2)C(=O)O |
| InChIKey | IMZMKUWMOSJXDT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
色甘酸 (CAS 16110-51-3), with molecular formula C23H16O11 and molecular weight 468.07 g/mol. IUPAC: 5-[3-(2-carboxy-4-oxochromen-5-yl)oxy-2-hydroxypropoxy]-4-oxochromene-2-carboxylic acid.
Chemical Property Profile of 色甘酸
Property Insights of 色甘酸
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 色甘酸. The TPSA of 166.0 Ų indicates high polarity, suggesting 色甘酸 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 色甘酸 has 3 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 色甘酸?
The CAS number of 色甘酸 is 16110-51-3.
What is the molecular formula of 色甘酸?
The molecular formula of 色甘酸 is C23H16O11.
What is the molecular weight of 色甘酸?
The molecular weight of 色甘酸 is 468.07 g/mol.
Where can I buy 色甘酸?
You can request a quote for 色甘酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 色甘酸?
Yes, KEHONG BIO provides custom synthesis services for 色甘酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.