C27H22ClFO7
TL;DR: C27H22ClFO7 (CAS 586986-73-4) is a chemical compound with molecular formula C27H22ClFO7 and molecular weight 512.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 7-[(2-chloro-4-fluorophenyl)methoxy]-3-(3,4-dimethoxyphenyl)-4-oxochromene-2-carboxylate
Also Known As: ethyl 3-(3,4-dimethoxyphenyl)-7-[(2-chloro-4-fluorophenyl)methoxy]-4-oxochrome ne-2-carboxylate, ethyl 7-((2-chloro-4-fluorobenzyl)oxy)-3-(3,4-dimethoxyphenyl)-4-oxo-4H-chromene-2-carboxylate, Ethyl 7-[(2-chloro-4-fluoro-phenyl)methoxy]-3-(3,4-dimethoxyphenyl)-4-oxo-chromene-2-carboxylate, ethyl 7-[(2-chloro-4-fluorobenzyl)oxy]-3-(3,4-dimethoxyphenyl)-4-oxo-4H-chromene-2-carboxylate, ethyl 7-[(2-chloro-4-fluorophenyl)methoxy]-3-(3,4-dimethoxyphenyl)-4-oxochromene-2-carboxylate
| Molecular Formula | C27H22ClFO7 |
|---|---|
| Molecular Weight | 512.10 g/mol |
| LogP | 6.0254 |
| Topological Polar Surface Area | 84.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 512.1038 |
| Heavy Atoms | 36 |
| Complexity | 1495.9706 |
Chemical Identifiers
| CAS Number | 586986-73-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=O)C2=C(O1)C=C(C=C2)OCC3=C(C=C(C=C3)F)Cl)C4=CC(=C(C=C4)OC)OC |
Product Overview
C27H22ClFO7 (CAS 586986-73-4), with molecular formula C27H22ClFO7 and molecular weight 512.10 g/mol. IUPAC: ethyl 7-[(2-chloro-4-fluorophenyl)methoxy]-3-(3,4-dimethoxyphenyl)-4-oxochromene-2-carboxylate.
Chemical Property Profile of C27H22ClFO7
Property Insights of C27H22ClFO7
The XLogP value of 6.0254 indicates that C27H22ClFO7 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.2 Ų falls within the moderate polarity range, balancing permeability and solubility for C27H22ClFO7. Following Lipinski's Rule of Five, C27H22ClFO7 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C27H22ClFO7?
The CAS number of C27H22ClFO7 is 586986-73-4.
What is the molecular formula of C27H22ClFO7?
The molecular formula of C27H22ClFO7 is C27H22ClFO7.
What is the molecular weight of C27H22ClFO7?
The molecular weight of C27H22ClFO7 is 512.10 g/mol.
Where can I buy C27H22ClFO7?
You can request a quote for C27H22ClFO7 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C27H22ClFO7?
Yes, KEHONG BIO provides custom synthesis services for C27H22ClFO7 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.